3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid

C9H16N2O3 — CID 61160049

IUPAC3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CNC1CC1
InChIInChI=1S/C9H16N2O3/c1-6(4-9(13)14)11-8(12)5-10-7-2-3-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXPRABWRFUDOVEL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.28
Rot. Bonds6

About 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid

3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid (PubChem CID 61160049) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
PubChem CID61160049
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)CNC1CC1
InChIInChI=1S/C9H16N2O3/c1-6(4-9(13)14)11-8(12)5-10-7-2-3-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXPRABWRFUDOVEL-UHFFFAOYSA-N
XLogP-0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-(5-methylhexan-2-yl)acetamide
CID 54917648
2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 60842858
2-(cycloheptylamino)-N-pentan-2-ylacetamide
CID 60688089
2-(cyclohexylamino)-N-pentan-2-ylacetamide
CID 60683795
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
2-(cyclopropylamino)-N-(2-methylpentan-3-yl)acetamide
CID 61470431
(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077
2-(cyclopropylamino)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide;hydrochloride
CID 110012022
2-(cyclopentylamino)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 54968434
2-[(3-methylcyclopentyl)amino]-N-pentan-2-ylacetamide
CID 114545702
2-(cyclopropylamino)-N-(dicyclopropylmethyl)acetamide
CID 60720684

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid (CID 61160049) is 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)CNC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid?
The InChIKey is XPRABWRFUDOVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(4-9(13)14)11-8(12)5-10-7-2-3-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid?
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 61160049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).