3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid

C16H24N2O3 — CID 61184948

IUPAC3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
SMILESCC(C)c1ccc(NC(=O)N(CCC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13-5-7-14(8-6-13)17-16(21)18(12(3)4)10-9-15(19)20/h5-8,11-12H,9-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyMKUWKYKQGVDYIH-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.53
Rot. Bonds6

About 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid

3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid (PubChem CID 61184948) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
PubChem CID61184948
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
SMILESCC(C)c1ccc(NC(=O)N(CCC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13-5-7-14(8-6-13)17-16(21)18(12(3)4)10-9-15(19)20/h5-8,11-12H,9-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyMKUWKYKQGVDYIH-UHFFFAOYSA-N
XLogP3.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 60827606
3-[(4-nitrophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 60829429
1-(3-amino-3-hydroxyiminopropyl)-3-(4-chlorophenyl)-1-propan-2-ylurea
CID 76911457
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
3-[(3-cyanophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 60829094
1-[(1-benzylpyrrol-2-yl)methyl]-1-propan-2-yl-3-(4-propan-2-ylphenyl)urea
CID 3915867
3-[[2-(4-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840352
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
1-(2-methoxyethyl)-3-[4-[1-(methylamino)ethyl]phenyl]-1-propan-2-ylurea
CID 82938648
3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699211
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61186550
3-(N-methyl-4-propan-2-ylanilino)propanoic acid
CID 17244983

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid (CID 61184948) is 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid is CC(C)c1ccc(NC(=O)N(CCC(=O)O)C(C)C)cc1.
What is the InChIKey of 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is MKUWKYKQGVDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)13-5-7-14(8-6-13)17-16(21)18(12(3)4)10-9-15(19)20/h5-8,11-12H,9-10H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61184948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).