4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid

C14H20N2O4 — CID 28511787

IUPAC4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
SMILESCC(C)Oc1ccccc1NC(=O)NCCCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)20-12-7-4-3-6-11(12)16-14(19)15-9-5-8-13(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHFDMVVYSNYCPIL-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.46
Rot. Bonds7

About 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid

4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid (PubChem CID 28511787) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
PubChem CID28511787
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
SMILESCC(C)Oc1ccccc1NC(=O)NCCCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)20-12-7-4-3-6-11(12)16-14(19)15-9-5-8-13(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHFDMVVYSNYCPIL-UHFFFAOYSA-N
XLogP2.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.46
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

1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
4-[[2-(2,2-difluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122086894
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
4-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122085552
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 112973546
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
1-(2-propan-2-yloxyphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974497

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid (CID 28511787) is 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid is CC(C)Oc1ccccc1NC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is HFDMVVYSNYCPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)20-12-7-4-3-6-11(12)16-14(19)15-9-5-8-13(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-yloxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 28511787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).