(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid

C15H19NO5 — CID 104941294

IUPAC(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)OCc1ccccc1)C1CCCO1
InChIInChI=1S/C15H19NO5/c17-14(18)9-12(13-7-4-8-20-13)16-15(19)21-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13?/m1/s1
InChIKeyOETQBCJCBXQVIX-PZORYLMUSA-N
MW293.32 g/mol
LogP1.94
Rot. Bonds6

About (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid

(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 104941294) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID104941294
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)OCc1ccccc1)C1CCCO1
InChIInChI=1S/C15H19NO5/c17-14(18)9-12(13-7-4-8-20-13)16-15(19)21-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13?/m1/s1
InChIKeyOETQBCJCBXQVIX-PZORYLMUSA-N
XLogP1.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
CID 169233060
(3S)-3-(oxan-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941288
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
3-(5-methyloxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103873100
benzyl N-[2-(benzylamino)-2-oxo-1-(oxolan-2-yl)ethyl]carbamate
CID 142383171
3-(3-methylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103695947
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
(3S)-3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 93481104
3-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid
CID 22309390
benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
CID 131112682
benzyl N-[(2R)-1-hydroxy-3-(oxolan-2-yl)propan-2-yl]carbamate
CID 169233311
(3S)-3-[(1S)-cyclohex-3-en-1-yl]-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481111

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid (CID 104941294) is (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid is O=C(O)C[C@@H](NC(=O)OCc1ccccc1)C1CCCO1.
What is the InChIKey of (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is OETQBCJCBXQVIX-PZORYLMUSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(18)9-12(13-7-4-8-20-13)16-15(19)21-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13?/m1/s1.
What are the key properties of (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid?
(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 104941294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).