2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid

C12H17N3O3 — CID 60828541

IUPAC2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
SMILESCNC(=O)c1cc(N(CC(=O)O)C(C)C)ccn1
InChIInChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)17)9-4-5-14-10(6-9)12(18)13-3/h4-6,8H,7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyVGJCIGLDCUIQKE-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds5

About 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid

2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid (PubChem CID 60828541) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
PubChem CID60828541
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
SMILESCNC(=O)c1cc(N(CC(=O)O)C(C)C)ccn1
InChIInChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)17)9-4-5-14-10(6-9)12(18)13-3/h4-6,8H,7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyVGJCIGLDCUIQKE-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 63761416
3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 60829186
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
3-[[2-(methylcarbamoyl)-4-pyridinyl]sulfanyl]butanoic acid
CID 66115933
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid (CID 60828541) is 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid is CNC(=O)c1cc(N(CC(=O)O)C(C)C)ccn1.
What is the InChIKey of 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid?
The InChIKey is VGJCIGLDCUIQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)17)9-4-5-14-10(6-9)12(18)13-3/h4-6,8H,7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid?
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60828541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).