(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid

C14H20N2O3 — CID 106900448

IUPAC(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid
SMILESCCc1ccc(CNC(=O)N[C@H](CC)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-10-5-7-11(8-6-10)9-15-14(19)16-12(4-2)13(17)18/h5-8,12H,3-4,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyKYTRGKYDTDGDCZ-GFCCVEGCSA-N
MW264.32 g/mol
LogP1.91
Rot. Bonds6

About (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid

(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid (PubChem CID 106900448) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid
PubChem CID106900448
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid
SMILESCCc1ccc(CNC(=O)N[C@H](CC)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-10-5-7-11(8-6-10)9-15-14(19)16-12(4-2)13(17)18/h5-8,12H,3-4,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyKYTRGKYDTDGDCZ-GFCCVEGCSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 106900478
2-[(4-ethylphenyl)methylcarbamoylamino]pent-4-ynoic acid
CID 106900412
2-[(4-ethylphenyl)methylcarbamoylamino]pent-4-enoic acid
CID 106900498
(2S)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 103995681
(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 106900425
(2S,3R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 106900426
2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)butanoic acid
CID 62905415
(2S)-2-[(4-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 107145439
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]butanoic acid
CID 61180903
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid (CID 106900448) is (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid is CCc1ccc(CNC(=O)N[C@H](CC)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid?
The InChIKey is KYTRGKYDTDGDCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10-5-7-11(8-6-10)9-15-14(19)16-12(4-2)13(17)18/h5-8,12H,3-4,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid?
(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethylphenyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106900448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).