1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid

C11H20N2O3 — CID 115450774

IUPAC1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NCCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-6-3-9(14)13-7-11(4-5-11)10(15)16/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBJMIMNONTYVAHQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds7

About 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450774) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450774
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NCCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-6-3-9(14)13-7-11(4-5-11)10(15)16/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBJMIMNONTYVAHQ-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450761
1-[[(6-amino-4-methylhexanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433630
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369
1-[[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81362085

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115450774) is 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid is CC(C)NCCC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BJMIMNONTYVAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)12-6-3-9(14)13-7-11(4-5-11)10(15)16/h8,12H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).