(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid

C12H20N2O4 — CID 129380712

IUPAC(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-7(2)10(12(17)18)14-11(16)8-4-5-9(15)13-6-8/h7-8,10H,3-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8+,10-/m0/s1
InChIKeyYEPWIFMQOBSBOX-XKSSXDPKSA-N
MW256.30 g/mol
LogP0.13
Rot. Bonds5

About (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 129380712) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
PubChem CID129380712
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-7(2)10(12(17)18)14-11(16)8-4-5-9(15)13-6-8/h7-8,10H,3-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8+,10-/m0/s1
InChIKeyYEPWIFMQOBSBOX-XKSSXDPKSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410
N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115900350
(2S,3S)-3-methyl-2-(thiane-4-carbonylamino)pentanoic acid
CID 110837216
N-(1-ethoxy-3-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103274805
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931
(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
CID 83193700
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
CID 113408101

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid (CID 129380712) is (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is YEPWIFMQOBSBOX-XKSSXDPKSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-7(2)10(12(17)18)14-11(16)8-4-5-9(15)13-6-8/h7-8,10H,3-6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8+,10-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 129380712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).