(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

C13H18N4O4 — CID 107830585

IUPAC(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cccnc1)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H18N4O4/c1-17(8-9-3-2-6-15-7-9)13(21)16-10(12(19)20)4-5-11(14)18/h2-3,6-7,10H,4-5,8H2,1H3,(H2,14,18)(H,16,21)(H,19,20)/t10-/m1/s1
InChIKeyKHPJWBRTMJBHQJ-SNVBAGLBSA-N
MW294.31 g/mol
LogP-0.06
Rot. Bonds7

About (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107830585) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID107830585
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1cccnc1)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H18N4O4/c1-17(8-9-3-2-6-15-7-9)13(21)16-10(12(19)20)4-5-11(14)18/h2-3,6-7,10H,4-5,8H2,1H3,(H2,14,18)(H,16,21)(H,19,20)/t10-/m1/s1
InChIKeyKHPJWBRTMJBHQJ-SNVBAGLBSA-N
XLogP-0.06
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-5-amino-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 61197904
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830779
2-acetamido-3-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 64582503
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830936
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 114144603
1-methyl-1-(pyridin-3-ylmethyl)-3-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]urea
CID 97340927
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 107830585) is (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is CN(Cc1cccnc1)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is KHPJWBRTMJBHQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-17(8-9-3-2-6-15-7-9)13(21)16-10(12(19)20)4-5-11(14)18/h2-3,6-7,10H,4-5,8H2,1H3,(H2,14,18)(H,16,21)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).