(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid

C12H17N3O3 — CID 122050028

IUPAC(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1ccc(C(N)=O)cn1)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7(2)5-9(12(17)18)15-10-4-3-8(6-14-10)11(13)16/h3-4,6-7,9H,5H2,1-2H3,(H2,13,16)(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyAHYVYXQBBIIWAH-VIFPVBQESA-N
MW251.29 g/mol
LogP1.09
Rot. Bonds6

About (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid

(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid (PubChem CID 122050028) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
PubChem CID122050028
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1ccc(C(N)=O)cn1)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-7(2)5-9(12(17)18)15-10-4-3-8(6-14-10)11(13)16/h3-4,6-7,9H,5H2,1-2H3,(H2,13,16)(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyAHYVYXQBBIIWAH-VIFPVBQESA-N
XLogP1.09
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
2-[(5-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110982
2-(4-carbamoyl-2-chloroanilino)-4-methylpentanoic acid
CID 55182349
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid (CID 122050028) is (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](Nc1ccc(C(N)=O)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
The InChIKey is AHYVYXQBBIIWAH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(2)5-9(12(17)18)15-10-4-3-8(6-14-10)11(13)16/h3-4,6-7,9H,5H2,1-2H3,(H2,13,16)(H,14,15)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid?
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 122050028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).