1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid

C10H18N2O3 — CID 115450682

IUPAC1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(N)CCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-7(11)2-3-8(13)12-6-10(4-5-10)9(14)15/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyWYQKYNWERAJOER-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds6

About 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450682) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115450682
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(N)CCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-7(11)2-3-8(13)12-6-10(4-5-10)9(14)15/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyWYQKYNWERAJOER-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450761
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450630
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
1-[[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445917
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid (CID 115450682) is 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid is CC(N)CCC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is WYQKYNWERAJOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(11)2-3-8(13)12-6-10(4-5-10)9(14)15/h7H,2-6,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).