1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid

C10H18N2O3 — CID 115450630

IUPAC1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-6(2)7(11)8(13)12-5-10(3-4-10)9(14)15/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyQQWPKYYEXIJNQH-ZETCQYMHSA-N
MW214.26 g/mol
LogP-0.05
Rot. Bonds5

About 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450630) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450630
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-6(2)7(11)8(13)12-5-10(3-4-10)9(14)15/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyQQWPKYYEXIJNQH-ZETCQYMHSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
4-[[(2-amino-3-methylbutanoyl)amino]methyl]oxane-4-carboxylic acid
CID 113310182
1-[[(2-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442601
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115450630) is 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid is CC(C)[C@H](N)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QQWPKYYEXIJNQH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)7(11)8(13)12-5-10(3-4-10)9(14)15/h6-7H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).