4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid

C8H15N3O4 — CID 61202832

IUPAC4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
SMILESNC(=O)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C8H15N3O4/c9-6(12)3-5-11-8(15)10-4-1-2-7(13)14/h1-5H2,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyFREBDFOZOXTCTM-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.97
Rot. Bonds7

About 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid

4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid (PubChem CID 61202832) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
PubChem CID61202832
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
SMILESNC(=O)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C8H15N3O4/c9-6(12)3-5-11-8(15)10-4-1-2-7(13)14/h1-5H2,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyFREBDFOZOXTCTM-UHFFFAOYSA-N
XLogP-0.97
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
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-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
CID 114162551
4-(2,2-difluoroethylcarbamoylamino)butanoic acid
CID 115408056
4-(prop-2-ynylcarbamoylamino)butanoic acid
CID 61192126
4-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 63227541
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555
2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
CID 114162453
34-amino-34-oxotetratriacontanoic acid
CID 139682719
24-amino-24-oxotetracosanoic acid
CID 139682769

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid (CID 61202832) is 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid is NC(=O)CCNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid?
The InChIKey is FREBDFOZOXTCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c9-6(12)3-5-11-8(15)10-4-1-2-7(13)14/h1-5H2,(H2,9,12)(H,13,14)(H2,10,11,15).
What are the key properties of 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid?
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid has a molecular weight of 217.22 g/mol, XLogP of -0.97, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61202832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).