4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid

C14H28N2O3 — CID 61196397

IUPAC4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
SMILESCCCN(C(=O)N(CCCC(=O)O)C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-9-15(11(2)3)14(19)16(12(4)5)10-7-8-13(17)18/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyQYRNAQWDBYNSMC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.80
Rot. Bonds8

About 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid

4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid (PubChem CID 61196397) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
PubChem CID61196397
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
SMILESCCCN(C(=O)N(CCCC(=O)O)C(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-6-9-15(11(2)3)14(19)16(12(4)5)10-7-8-13(17)18/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyQYRNAQWDBYNSMC-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[[butyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61447544
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[pentan-2-ylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61181352
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 55123096
4-[2,2-dimethylbutanoyl(propan-2-yl)amino]butanoic acid
CID 62679528
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid (CID 61196397) is 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid is CCCN(C(=O)N(CCCC(=O)O)C(C)C)C(C)C.
What is the InChIKey of 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid?
The InChIKey is QYRNAQWDBYNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-9-15(11(2)3)14(19)16(12(4)5)10-7-8-13(17)18/h11-12H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid?
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61196397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).