3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid

C12H22N2O3 — CID 61160293

IUPAC3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid
SMILESCC(C)NCCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)13-7-5-11(15)14(10-3-4-10)8-6-12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyYXRMFVGXNRVFTG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds8

About 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid

3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid (PubChem CID 61160293) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid
PubChem CID61160293
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid
SMILESCC(C)NCCC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)13-7-5-11(15)14(10-3-4-10)8-6-12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyYXRMFVGXNRVFTG-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 102862058
N-cyclopentyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60953799
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
CID 82323613
3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid
CID 79854101
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
CID 61162403
N-butyl-N-cyclopropyl-2-(propan-2-ylamino)acetamide
CID 60945634

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid (CID 61160293) is 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid is CC(C)NCCC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid?
The InChIKey is YXRMFVGXNRVFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)13-7-5-11(15)14(10-3-4-10)8-6-12(16)17/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid?
3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(propan-2-ylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 61160293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).