(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid

C15H22N2O4 — CID 103996411

IUPAC(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
SMILESCC(C)COCCNC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(2)10-21-9-8-16-15(20)17-13(14(18)19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyRUCYEKOADNNEOL-CYBMUJFWSA-N
MW294.35 g/mol
LogP1.78
Rot. Bonds8

About (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid

(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid (PubChem CID 103996411) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
PubChem CID103996411
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
SMILESCC(C)COCCNC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-11(2)10-21-9-8-16-15(20)17-13(14(18)19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyRUCYEKOADNNEOL-CYBMUJFWSA-N
XLogP1.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)-2-phenylacetic acid
CID 104866571
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
(2S,3S)-3-methyl-2-[2-(2-methylpropoxy)ethylcarbamoylamino]pentanoic acid
CID 113363354
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
(2S)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]butanedioic acid
CID 104877273
1-[2-(dimethylamino)-1-phenylethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 86994311

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid (CID 103996411) is (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid is CC(C)COCCNC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid?
The InChIKey is RUCYEKOADNNEOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)10-21-9-8-16-15(20)17-13(14(18)19)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid?
(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 103996411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).