2-(dipropylcarbamoylamino)-3-phenylpropanoic acid

C16H24N2O3 — CID 3396310

IUPAC2-(dipropylcarbamoylamino)-3-phenylpropanoic acid
SMILESCCCN(CCC)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-10-18(11-4-2)16(21)17-14(15(19)20)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYWWYBCUMFLBMAG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.51
Rot. Bonds8

About 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid

2-(dipropylcarbamoylamino)-3-phenylpropanoic acid (PubChem CID 3396310) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(dipropylcarbamoylamino)-3-phenylpropanoic acid
PubChem CID3396310
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(dipropylcarbamoylamino)-3-phenylpropanoic acid
SMILESCCCN(CCC)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-10-18(11-4-2)16(21)17-14(15(19)20)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYWWYBCUMFLBMAG-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902324
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid
CID 120913356
(2R)-2-[[ethyl(prop-2-ynyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902454
(2S)-3-(4-hydroxyphenyl)-2-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61196068
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 61198806
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 104902445
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid (CID 3396310) is 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid is CCCN(CCC)C(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid?
The InChIKey is YWWYBCUMFLBMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-10-18(11-4-2)16(21)17-14(15(19)20)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid?
2-(dipropylcarbamoylamino)-3-phenylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylcarbamoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 3396310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).