(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid

C14H21N3O3 — CID 61155509

IUPAC(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-9(2)7-11(14(19)20)16-13(18)10-5-6-15-12(8-10)17(3)4/h5-6,8-9,11H,7H2,1-4H3,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeyITBZMLSLHOFOTR-NSHDSACASA-N
MW279.34 g/mol
LogP1.38
Rot. Bonds6

About (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 61155509) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
PubChem CID61155509
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-9(2)7-11(14(19)20)16-13(18)10-5-6-15-12(8-10)17(3)4/h5-6,8-9,11H,7H2,1-4H3,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeyITBZMLSLHOFOTR-NSHDSACASA-N
XLogP1.38
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
(2S,3R)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 93306101
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid (CID 61155509) is (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)c1ccnc(N(C)C)c1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is ITBZMLSLHOFOTR-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)7-11(14(19)20)16-13(18)10-5-6-15-12(8-10)17(3)4/h5-6,8-9,11H,7H2,1-4H3,(H,16,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 61155509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).