(2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate

C16H28N3O6- — CID 7077326

IUPAC(2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate
SMILESCC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]
InChIInChI=1S/C16H29N3O6/c1-6-9(2)12(19-15(24)25-16(3,4)5)13(21)18-10(14(22)23)7-8-11(17)20/h9-10,12H,6-8H2,1-5H3,(H2,17,20)(H,18,21)(H,19,24)(H,22,23)/p-1/t9-,10-,12-/m1/s1
InChIKeyINHBBLAAKUFQTQ-CKYFFXLPSA-M
MW358.42 g/mol
LogP-0.57
Rot. Bonds9

About (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate

(2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate (PubChem CID 7077326) has the molecular formula C16H28N3O6- and a molecular weight of 358.42 g/mol. Its IUPAC name is (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Name(2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate
PubChem CID7077326
Molecular FormulaC16H28N3O6-
Molecular Weight358.42 g/mol
Exact Mass358.20
IUPAC Name(2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate
SMILESCC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]
InChIInChI=1S/C16H29N3O6/c1-6-9(2)12(19-15(24)25-16(3,4)5)13(21)18-10(14(22)23)7-8-11(17)20/h9-10,12H,6-8H2,1-5H3,(H2,17,20)(H,18,21)(H,19,24)(H,22,23)/p-1/t9-,10-,12-/m1/s1
InChIKeyINHBBLAAKUFQTQ-CKYFFXLPSA-M
XLogP-0.57
TPSA150.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
CID 12012069
tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
CID 50945788
methyl (2S)-3-methyl-2-[[(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoate
CID 95560766
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446127
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
disodium;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 102136496
5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanethioic S-acid
CID 175192087
tert-butyl N-(1-bromo-3-methyl-1-oxopentan-2-yl)carbamate
CID 175054407
tert-butyl N-[(4S)-1-amino-6,6-dimethyl-1,5-dioxoheptan-4-yl]carbamate
CID 140914884
methyl (4R)-5-amino-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-5-oxopentanoate
CID 13190103
tert-butyl N-[(2S)-1-[[(2S)-5-amino-1-[(1-cyano-4-methylpentan-3-yl)amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 102590955
tert-butyl N-[1-(2-methoxyethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 110407612

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate?
The IUPAC name of (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate (CID 7077326) is (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate.
What is the SMILES notation for (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate?
The canonical SMILES for (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate is CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)[O-].
What is the InChIKey of (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate?
The InChIKey is INHBBLAAKUFQTQ-CKYFFXLPSA-M. The full InChI is InChI=1S/C16H29N3O6/c1-6-9(2)12(19-15(24)25-16(3,4)5)13(21)18-10(14(22)23)7-8-11(17)20/h9-10,12H,6-8H2,1-5H3,(H2,17,20)(H,18,21)(H,19,24)(H,22,23)/p-1/t9-,10-,12-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate?
(2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate has a molecular weight of 358.42 g/mol, XLogP of -0.57, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-oxopentanoate is sourced from PubChem (CID 7077326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).