(2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate

C14H22N4O5 — CID 90804640

IUPAC(2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate
SMILESCC(C)[C@@H](NC(=O)On1c(O)ccc1O)NC(=O)C1CCCN1
InChIInChI=1S/C14H22N4O5/c1-8(2)12(16-13(21)9-4-3-7-15-9)17-14(22)23-18-10(19)5-6-11(18)20/h5-6,8-9,12,15,19-20H,3-4,7H2,1-2H3,(H,16,21)(H,17,22)/t9?,12-/m1/s1
InChIKeyDMWUAJLMSWTIHO-FFFFSGIJSA-N
MW326.35 g/mol
LogP-0.11
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate

(2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate (PubChem CID 90804640) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate
PubChem CID90804640
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate
SMILESCC(C)[C@@H](NC(=O)On1c(O)ccc1O)NC(=O)C1CCCN1
InChIInChI=1S/C14H22N4O5/c1-8(2)12(16-13(21)9-4-3-7-15-9)17-14(22)23-18-10(19)5-6-11(18)20/h5-6,8-9,12,15,19-20H,3-4,7H2,1-2H3,(H,16,21)(H,17,22)/t9?,12-/m1/s1
InChIKeyDMWUAJLMSWTIHO-FFFFSGIJSA-N
XLogP-0.11
TPSA124.85 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(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)-pyrrolidine-2-carboxylate
CID 54104390
(2,5-dihydroxypyrrol-1-yl) (2R)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 54376401
(2,5-Dihydroxypyrrol-1-yl) 4-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
CID 90696140
(2,5-dihydroxypyrrol-1-yl) 4-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methylamino]-4-oxobutanoate
CID 90768376
(2,5-dihydroxypyrrol-1-yl) 2-[[2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-(methylamino)pentanoyl]amino]pentanoyl]amino]acetyl]amino]acetate
CID 90833536
tert-butyl 2-[[(1R)-1-[(2,5-dihydroxypyrrol-1-yl)oxycarbonylamino]-2-methylpropyl]carbamoyl]pyrrolidine-1-carboxylate
CID 90843022
(2,5-dihydroxypyrrol-1-yl) N-[(4S)-1-(2-amino-2-oxoethyl)azepan-4-yl]carbamate
CID 90892931
(2,5-dihydroxypyrrol-1-yl) (2S)-1-[(2-methylpropan-2-yl)oxycarbamoyl]pyrrolidine-2-carboxylate
CID 90943166
(2,5-Dihydroxypyrrol-1-yl) 5-(carbamoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 90949704
(2,5-Dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate
CID 91164923

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate (CID 90804640) is (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate is CC(C)[C@@H](NC(=O)On1c(O)ccc1O)NC(=O)C1CCCN1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate?
The InChIKey is DMWUAJLMSWTIHO-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H22N4O5/c1-8(2)12(16-13(21)9-4-3-7-15-9)17-14(22)23-18-10(19)5-6-11(18)20/h5-6,8-9,12,15,19-20H,3-4,7H2,1-2H3,(H,16,21)(H,17,22)/t9?,12-/m1/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate?
(2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate has a molecular weight of 326.35 g/mol, XLogP of -0.11, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) N-[(1R)-2-methyl-1-(pyrrolidine-2-carbonylamino)propyl]carbamate is sourced from PubChem (CID 90804640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).