2-(carboxyamino)-3-methylpentanoic acid

C7H13NO4 — CID 19101858

IUPAC2-(carboxyamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-4(2)5(6(9)10)8-7(11)12/h4-5,8H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyUUBCYMOEZWLGBD-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.75
Rot. Bonds4

About 2-(carboxyamino)-3-methylpentanoic acid

2-(carboxyamino)-3-methylpentanoic acid (PubChem CID 19101858) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(carboxyamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(carboxyamino)-3-methylpentanoic acid
PubChem CID19101858
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-(carboxyamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-4(2)5(6(9)10)8-7(11)12/h4-5,8H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyUUBCYMOEZWLGBD-UHFFFAOYSA-N
XLogP0.75
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
(2S,3S)-2-(butan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 61188822
2-[(2-fluoroacetyl)amino]-3-methylpentanoic acid
CID 139416074
(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 40607627
(2S,3S)-2-(3,4-dimethylpentanoylamino)-3-methylpentanoic acid
CID 119193969
[2-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-2-oxoethyl]-trimethylazanium
CID 44551456
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 61498748
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693

Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)-3-methylpentanoic acid?
The IUPAC name of 2-(carboxyamino)-3-methylpentanoic acid (CID 19101858) is 2-(carboxyamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(carboxyamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(carboxyamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxyamino)-3-methylpentanoic acid?
The InChIKey is UUBCYMOEZWLGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-4(2)5(6(9)10)8-7(11)12/h4-5,8H,3H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-(carboxyamino)-3-methylpentanoic acid?
2-(carboxyamino)-3-methylpentanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)-3-methylpentanoic acid is sourced from PubChem (CID 19101858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).