2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid

C10H16N2O4 — CID 115596329

IUPAC2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C10H16N2O4/c13-8(12-6-9(14)15)2-1-5-11-10(16)7-3-4-7/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyGYYDJAMJXWLHGA-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.51
Rot. Bonds7

About 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid

2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid (PubChem CID 115596329) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
PubChem CID115596329
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C10H16N2O4/c13-8(12-6-9(14)15)2-1-5-11-10(16)7-3-4-7/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyGYYDJAMJXWLHGA-UHFFFAOYSA-N
XLogP-0.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.51
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

2-[[2-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224615
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
20-[[4-(carboxymethylcarbamoyl)cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 148996235
(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
CID 119244617
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[4-(cyclopropanecarbonylamino)butanoylamino]butanoic acid
CID 119224160
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N-[2-(7-aminoheptanoylamino)ethyl]cyclopropanecarboxamide
CID 115738007
3-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]propanoic acid
CID 119252599
N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 111459727
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid?
The IUPAC name of 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid (CID 115596329) is 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid?
The canonical SMILES for 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid is O=C(O)CNC(=O)CCCNC(=O)C1CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid?
The InChIKey is GYYDJAMJXWLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8(12-6-9(14)15)2-1-5-11-10(16)7-3-4-7/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid?
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid is sourced from PubChem (CID 115596329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).