2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid

C10H17NO3 — CID 63687624

IUPAC2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C=O)C1CC1
InChIInChI=1S/C10H17NO3/c1-7(2)5-9(10(13)14)11(6-12)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyCIBYLQFQOQFFGE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds6

About 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid

2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid (PubChem CID 63687624) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid
PubChem CID63687624
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C=O)C1CC1
InChIInChI=1S/C10H17NO3/c1-7(2)5-9(10(13)14)11(6-12)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyCIBYLQFQOQFFGE-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl(formyl)amino]-4-ethylsulfanylbutanoic acid
CID 116504418
N-cyclopropyl-N-(1-hydroxyethyl)formamide
CID 174552512
(2S)-2-[cyclohexylmethyl(methyl)amino]-4-methylpentanoic acid
CID 54294030
(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
4-methyl-2-[methyl(oxolan-3-yl)amino]pentanoic acid
CID 110838535
4-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanoic acid
CID 110838532
4-methyl-2-[propanoyl(sulfanyl)amino]pentanoic acid
CID 87491523
(2S)-2-[[(2S)-2-azido-3-methylbutanoyl]-formylamino]-4-methylpentanoic acid
CID 53328825
2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid
CID 55233210
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770725

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid (CID 63687624) is 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(C=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid?
The InChIKey is CIBYLQFQOQFFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)5-9(10(13)14)11(6-12)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid?
2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 63687624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).