2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid

C15H20N2O4 — CID 82728421

IUPAC2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid
SMILESCC1OCCC1NC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-12(7-8-21-10)16-15(20)17-13(14(18)19)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyZKGVJDGKFRHNKA-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.16
Rot. Bonds5

About 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid

2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 82728421) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID82728421
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid
SMILESCC1OCCC1NC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-12(7-8-21-10)16-15(20)17-13(14(18)19)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyZKGVJDGKFRHNKA-UHFFFAOYSA-N
XLogP1.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
(2R)-2-[(3-methyloxolane-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901954
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
(2S)-3-(4-hydroxyphenyl)-2-[(2-methyloxolane-3-carbonyl)amino]propanoic acid
CID 79754853
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129446372
(2R)-2-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)carbamoylamino]acetic acid
CID 107316107
2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
CID 114929264
(2S)-3-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 944231
N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide
CID 114300283
(2S)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid
CID 62213678
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 104979108

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid (CID 82728421) is 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid is CC1OCCC1NC(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is ZKGVJDGKFRHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-12(7-8-21-10)16-15(20)17-13(14(18)19)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid?
2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 82728421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).