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

C12H17N3O4 — CID 114006582

IUPAC(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCN(C)c1cc(C(=O)NCC[C@H](O)C(=O)O)ccn1
InChIInChI=1S/C12H17N3O4/c1-15(2)10-7-8(3-5-13-10)11(17)14-6-4-9(16)12(18)19/h3,5,7,9,16H,4,6H2,1-2H3,(H,14,17)(H,18,19)/t9-/m0/s1
InChIKeyGJNHEDRABXNSFM-VIFPVBQESA-N
MW267.29 g/mol
LogP-0.29
Rot. Bonds6

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

(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 114006582) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID114006582
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCN(C)c1cc(C(=O)NCC[C@H](O)C(=O)O)ccn1
InChIInChI=1S/C12H17N3O4/c1-15(2)10-7-8(3-5-13-10)11(17)14-6-4-9(16)12(18)19/h3,5,7,9,16H,4,6H2,1-2H3,(H,14,17)(H,18,19)/t9-/m0/s1
InChIKeyGJNHEDRABXNSFM-VIFPVBQESA-N
XLogP-0.29
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(dimethylamino)pyridine-4-carboxamide
CID 114152484
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
CID 65223408
(2S,3R)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxybutanoic acid
CID 93306101
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
CID 61155509
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66006489

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid (CID 114006582) is (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid is CN(C)c1cc(C(=O)NCC[C@H](O)C(=O)O)ccn1.
What is the InChIKey of (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is GJNHEDRABXNSFM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15(2)10-7-8(3-5-13-10)11(17)14-6-4-9(16)12(18)19/h3,5,7,9,16H,4,6H2,1-2H3,(H,14,17)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 267.29 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114006582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).