(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid

C14H20N2O3 — CID 61183256

IUPAC(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
SMILESCCCCCNC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-3-7-10-15-14(19)16-12(13(17)18)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyZHDIQBKTNRDHLS-GFCCVEGCSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds7

About (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid

(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid (PubChem CID 61183256) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
PubChem CID61183256
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
SMILESCCCCCNC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-3-7-10-15-14(19)16-12(13(17)18)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyZHDIQBKTNRDHLS-GFCCVEGCSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
1-benzhydryl-3-octadecylurea
CID 142646590
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-(pentylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 113278870
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777
(2R)-2-(but-3-enylcarbamoylamino)-2-phenylacetic acid
CID 113465864

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid (CID 61183256) is (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid is CCCCCNC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is ZHDIQBKTNRDHLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-7-10-15-14(19)16-12(13(17)18)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid?
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61183256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).