(2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate

C17H24N4O7 — CID 90768376

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
SMILESCC[C@H](C(N)=O)N1CC(CNC(=O)CCC(=O)On2c(O)ccc2O)CC1=O
InChIInChI=1S/C17H24N4O7/c1-2-11(17(18)27)20-9-10(7-15(20)25)8-19-12(22)3-6-16(26)28-21-13(23)4-5-14(21)24/h4-5,10-11,23-24H,2-3,6-9H2,1H3,(H2,18,27)(H,19,22)/t10?,11-/m1/s1
InChIKeyYLNGRGNUWDSLGH-RRKGBCIJSA-N
MW396.40 g/mol
LogP-1.14
Rot. Bonds9

About (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate

(2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate (PubChem CID 90768376) has the molecular formula C17H24N4O7 and a molecular weight of 396.40 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
PubChem CID90768376
Molecular FormulaC17H24N4O7
Molecular Weight396.40 g/mol
Exact Mass396.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
SMILESCC[C@H](C(N)=O)N1CC(CNC(=O)CCC(=O)On2c(O)ccc2O)CC1=O
InChIInChI=1S/C17H24N4O7/c1-2-11(17(18)27)20-9-10(7-15(20)25)8-19-12(22)3-6-16(26)28-21-13(23)4-5-14(21)24/h4-5,10-11,23-24H,2-3,6-9H2,1H3,(H2,18,27)(H,19,22)/t10?,11-/m1/s1
InChIKeyYLNGRGNUWDSLGH-RRKGBCIJSA-N
XLogP-1.14
TPSA164.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-4-oxoazetidine-2-carboxylate
CID 53687125
(2,5-dihydroxypyrrol-1-yl) 2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]acetate
CID 53690615
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-methylpentanoate
CID 53696439
(2,5-dihydroxypyrrol-1-yl) (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-methylbutanoate
CID 53772197
(2R)-4-(2,5-dihydroxypyrrol-1-yl)oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 53808918
(2,5-Dihydroxypyrrol-1-yl) 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetyl]amino]acetate
CID 53925778
(2,5-dihydroxypyrrol-1-yl) (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 53954343
(2,5-Dihydroxypyrrol-1-yl) 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoate
CID 53989263
(2,5-Dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate
CID 54016281
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-[[3-acetamido-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutyl]disulfanyl]butanoate
CID 54135286
(2,5-dihydroxypyrrol-1-yl) 2-[[(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetyl]amino]propanoyl]amino]acetate
CID 54175676

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate (CID 90768376) is (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate is CC[C@H](C(N)=O)N1CC(CNC(=O)CCC(=O)On2c(O)ccc2O)CC1=O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
The InChIKey is YLNGRGNUWDSLGH-RRKGBCIJSA-N. The full InChI is InChI=1S/C17H24N4O7/c1-2-11(17(18)27)20-9-10(7-15(20)25)8-19-12(22)3-6-16(26)28-21-13(23)4-5-14(21)24/h4-5,10-11,23-24H,2-3,6-9H2,1H3,(H2,18,27)(H,19,22)/t10?,11-/m1/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate?
(2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate has a molecular weight of 396.40 g/mol, XLogP of -1.14, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate is sourced from PubChem (CID 90768376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).