4-(pentan-2-ylcarbamoylamino)butanoic acid

C10H20N2O3 — CID 61181859

IUPAC4-(pentan-2-ylcarbamoylamino)butanoic acid
SMILESCCCC(C)NC(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-8(2)12-10(15)11-7-4-6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyDQLQJQPNZZRFAB-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds7

About 4-(pentan-2-ylcarbamoylamino)butanoic acid

4-(pentan-2-ylcarbamoylamino)butanoic acid (PubChem CID 61181859) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(pentan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(pentan-2-ylcarbamoylamino)butanoic acid
PubChem CID61181859
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(pentan-2-ylcarbamoylamino)butanoic acid
SMILESCCCC(C)NC(=O)NCCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-8(2)12-10(15)11-7-4-6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyDQLQJQPNZZRFAB-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 54958611
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
(2S,3S)-2-(3-carboxypropylcarbamoylamino)-3-methylpentanoic acid
CID 146684677
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
6-(octan-4-ylcarbamoylamino)hexanoic acid
CID 106020478
7-(4-methylsulfanylbutan-2-ylcarbamoylamino)heptanoic acid
CID 113477968
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
5-(3-sulfamoylpropylcarbamoylamino)hexanoic acid
CID 82848425
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 82846283

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(pentan-2-ylcarbamoylamino)butanoic acid (CID 61181859) is 4-(pentan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(pentan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(pentan-2-ylcarbamoylamino)butanoic acid is CCCC(C)NC(=O)NCCCC(=O)O.
What is the InChIKey of 4-(pentan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is DQLQJQPNZZRFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-5-8(2)12-10(15)11-7-4-6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(pentan-2-ylcarbamoylamino)butanoic acid?
4-(pentan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61181859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).