2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine

C13H20N2O4 — CID 174326195

IUPAC2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine
SMILESCCC(C)C(NC(=O)OC)C(=O)O.c1ccncc1
InChIInChI=1S/C8H15NO4.C5H5N/c1-4-5(2)6(7(10)11)9-8(12)13-3;1-2-4-6-5-3-1/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11);1-5H
InChIKeyGOUFHDZYNQXUPH-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.92
Rot. Bonds4

About 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine

2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine (PubChem CID 174326195) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine
PubChem CID174326195
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine
SMILESCCC(C)C(NC(=O)OC)C(=O)O.c1ccncc1
InChIInChI=1S/C8H15NO4.C5H5N/c1-4-5(2)6(7(10)11)9-8(12)13-3;1-2-4-6-5-3-1/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11);1-5H
InChIKeyGOUFHDZYNQXUPH-UHFFFAOYSA-N
XLogP1.92
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2S,3S)-3-methyl-2-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 61194205
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
2-(1-chloroethoxycarbonylamino)-3-methylpentanoic acid
CID 155070287
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
(2S)-3-methyl-2-(1-pyridin-3-ylethylcarbamoylamino)pentanoic acid
CID 61198650
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
[2-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-2-oxoethyl]-trimethylazanium
CID 44551456
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine?
The IUPAC name of 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine (CID 174326195) is 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine.
What is the SMILES notation for 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine?
The canonical SMILES for 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine is CCC(C)C(NC(=O)OC)C(=O)O.c1ccncc1.
What is the InChIKey of 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine?
The InChIKey is GOUFHDZYNQXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C5H5N/c1-4-5(2)6(7(10)11)9-8(12)13-3;1-2-4-6-5-3-1/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11);1-5H.
What are the key properties of 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine?
2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine has a molecular weight of 268.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-3-methylpentanoic acid;pyridine is sourced from PubChem (CID 174326195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).