(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid

C12H16N4O4 — CID 107830876

IUPAC(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1ccncc1NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H16N4O4/c1-7-4-5-14-6-9(7)16-12(20)15-8(11(18)19)2-3-10(13)17/h4-6,8H,2-3H2,1H3,(H2,13,17)(H,18,19)(H2,15,16,20)/t8-/m1/s1
InChIKeyJYFIKAFQQAZSSQ-MRVPVSSYSA-N
MW280.28 g/mol
LogP0.23
Rot. Bonds6

About (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107830876) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107830876
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1ccncc1NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H16N4O4/c1-7-4-5-14-6-9(7)16-12(20)15-8(11(18)19)2-3-10(13)17/h4-6,8H,2-3H2,1H3,(H2,13,17)(H,18,19)(H2,15,16,20)/t8-/m1/s1
InChIKeyJYFIKAFQQAZSSQ-MRVPVSSYSA-N
XLogP0.23
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107566981
2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 63327509
5-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 81082252
(2S)-4-methoxy-2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 63327853
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
3-amino-4-[(4-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 64894990
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
5-amino-2-[(2-bromo-3-chlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 103480866
5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61204807
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid (CID 107830876) is (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid is Cc1ccncc1NC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is JYFIKAFQQAZSSQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-4-5-14-6-9(7)16-12(20)15-8(11(18)19)2-3-10(13)17/h4-6,8H,2-3H2,1H3,(H2,13,17)(H,18,19)(H2,15,16,20)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107830876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).