2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid

C14H20N2O4 — CID 104763777

IUPAC2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
SMILESCC(C)OCCNC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(2)20-9-8-15-14(19)16-12(13(17)18)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRLNQCUWVKWLSTF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.54
Rot. Bonds7

About 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid

2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid (PubChem CID 104763777) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
PubChem CID104763777
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
SMILESCC(C)OCCNC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(2)20-9-8-15-14(19)16-12(13(17)18)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRLNQCUWVKWLSTF-UHFFFAOYSA-N
XLogP1.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.54
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

(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
CID 103996411
(2S)-2-(3-ethoxypropylcarbamoylamino)-2-phenylacetic acid
CID 103994194
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)-2-phenylacetic acid
CID 104866571
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
CID 110894791

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid (CID 104763777) is 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid is CC(C)OCCNC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
The InChIKey is RLNQCUWVKWLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)20-9-8-15-14(19)16-12(13(17)18)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid is sourced from PubChem (CID 104763777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).