3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid

C11H14N2O4 — CID 138110809

IUPAC3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
SMILESCOC(=O)NC(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C11H14N2O4/c1-17-11(16)13-9(7-10(14)15)6-8-4-2-3-5-12-8/h2-5,9H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyZMLAZCLELNDQNT-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.82
Rot. Bonds5

About 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid

3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid (PubChem CID 138110809) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
PubChem CID138110809
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
SMILESCOC(=O)NC(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C11H14N2O4/c1-17-11(16)13-9(7-10(14)15)6-8-4-2-3-5-12-8/h2-5,9H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyZMLAZCLELNDQNT-UHFFFAOYSA-N
XLogP0.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyrimidin-2-ylbutanoic acid
CID 154019269
(3S)-3-(methoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid
CID 121482434
methyl N-[(2S)-4-oxo-1-phenylpentan-2-yl]carbamate
CID 66831258
(2S)-2-(carboxyamino)-3-pyridin-2-ylpropanoic acid
CID 90150229
2-(propanoylamino)-3-pyridin-2-ylpropanoic acid
CID 141086627
methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate
CID 59470684
tert-butyl N-[(2R)-1-[methoxy(methyl)amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]carbamate
CID 59799807
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186

Frequently Asked Questions

What is the IUPAC name of 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid?
The IUPAC name of 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid (CID 138110809) is 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid is COC(=O)NC(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid?
The InChIKey is ZMLAZCLELNDQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-11(16)13-9(7-10(14)15)6-8-4-2-3-5-12-8/h2-5,9H,6-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid?
3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxycarbonylamino)-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 138110809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).