4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid

C9H16N2O3 — CID 43473310

IUPAC4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
SMILESO=C(O)CCCNCC(=O)NC1CC1
InChIInChI=1S/C9H16N2O3/c12-8(11-7-3-4-7)6-10-5-1-2-9(13)14/h7,10H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVPZAGGTVNGPUAN-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.28
Rot. Bonds7

About 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid

4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid (PubChem CID 43473310) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
PubChem CID43473310
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
SMILESO=C(O)CCCNCC(=O)NC1CC1
InChIInChI=1S/C9H16N2O3/c12-8(11-7-3-4-7)6-10-5-1-2-9(13)14/h7,10H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVPZAGGTVNGPUAN-UHFFFAOYSA-N
XLogP-0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
CID 43466674
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetic acid
CID 43466149
2-(3-aminopropylamino)-N-cyclopropylacetamide
CID 62274184
4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473587
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
3-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466548
4-(cyclopropylmethylamino)butanoic acid
CID 43377785
4-(3-carboxypropylamino)butanoic acid
CID 4072500
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid (CID 43473310) is 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid is O=C(O)CCCNCC(=O)NC1CC1.
What is the InChIKey of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid?
The InChIKey is VPZAGGTVNGPUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(11-7-3-4-7)6-10-5-1-2-9(13)14/h7,10H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid?
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 43473310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).