(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid

C14H20N2O3 — CID 104902324

IUPAC(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCCCN(C)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-9-16(2)14(19)15-12(13(17)18)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyIUBFNHSKLKACAO-GFCCVEGCSA-N
MW264.32 g/mol
LogP1.73
Rot. Bonds6

About (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid (PubChem CID 104902324) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
PubChem CID104902324
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCCCN(C)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-9-16(2)14(19)15-12(13(17)18)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyIUBFNHSKLKACAO-GFCCVEGCSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(4-hydroxyphenyl)-2-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61196068
2-(dipropylcarbamoylamino)-3-phenylpropanoic acid
CID 3396310
(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
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 22858674
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-phenylpropanoic acid
CID 120913356
(2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate
CID 6956673
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2R)-2-[[ethyl(prop-2-ynyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid (CID 104902324) is (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid is CCCN(C)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid?
The InChIKey is IUBFNHSKLKACAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-9-16(2)14(19)15-12(13(17)18)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104902324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).