3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid

C16H30N2O3 — CID 79490093

IUPAC3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-5-13(6-2)18(11-12(3)4)16(21)17(14-7-8-14)10-9-15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyCDOSSBWVTFUXTN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.19
Rot. Bonds9

About 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 79490093) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid
PubChem CID79490093
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid
SMILESCCC(CC)N(CC(C)C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C16H30N2O3/c1-5-13(6-2)18(11-12(3)4)16(21)17(14-7-8-14)10-9-15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyCDOSSBWVTFUXTN-UHFFFAOYSA-N
XLogP3.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
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3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylpropanamide
CID 79491004
3-[cyclopropyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 61201390
3-[cyclopropyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662932
2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
CID 79488647
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
3-[[2-cyanopropyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 54988632
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-cyclopropylamino]propanoic acid
CID 61161442
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid (CID 79490093) is 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid is CCC(CC)N(CC(C)C)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is CDOSSBWVTFUXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-13(6-2)18(11-12(3)4)16(21)17(14-7-8-14)10-9-15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79490093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).