(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid

C14H18N2O4 — CID 103869030

IUPAC(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESNC1(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CCOC1
InChIInChI=1S/C14H18N2O4/c15-14(6-7-20-9-14)13(19)16-11(12(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,16,19)(H,17,18)/t11-,14?/m1/s1
InChIKeyADOHXOLCLJESND-YNODCEANSA-N
MW278.31 g/mol
LogP-0.08
Rot. Bonds5

About (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid

(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 103869030) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID103869030
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESNC1(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CCOC1
InChIInChI=1S/C14H18N2O4/c15-14(6-7-20-9-14)13(19)16-11(12(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,16,19)(H,17,18)/t11-,14?/m1/s1
InChIKeyADOHXOLCLJESND-YNODCEANSA-N
XLogP-0.08
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-aminooxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 115294488
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 115452993
(2S)-2-[[4-[[(2S)-2-aminopropanoyl]amino]oxane-4-carbonyl]amino]-3-phenylpropanoic acid
CID 101394377
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 104902044
(2S)-2-[(1-aminocyclopropanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid
CID 24738911
3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934
(3-aminooxolan-3-yl)-(4-phenylphenyl)methanone
CID 116579512
(2S)-2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82758703
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64892585

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid (CID 103869030) is (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid is NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CCOC1.
What is the InChIKey of (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is ADOHXOLCLJESND-YNODCEANSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-14(6-7-20-9-14)13(19)16-11(12(17)18)8-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2,(H,16,19)(H,17,18)/t11-,14?/m1/s1.
What are the key properties of (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 278.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 103869030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).