1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid

C11H20N2O3 — CID 115450693

IUPAC1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CC(N)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-7(2)5-8(12)9(14)13-6-11(3-4-11)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyATVVHSSFVYZQGR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds6

About 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450693) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450693
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CC(N)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-7(2)5-8(12)9(14)13-6-11(3-4-11)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyATVVHSSFVYZQGR-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450630
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436421
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752
4-[[(2-amino-3-methylbutanoyl)amino]methyl]oxane-4-carboxylic acid
CID 113310182
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 107570320
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450693) is 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid is CC(C)CC(N)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ATVVHSSFVYZQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)5-8(12)9(14)13-6-11(3-4-11)10(15)16/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).