(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid

C12H15NO6 — CID 18611397

IUPAC(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid
SMILESCOc1ccc(COC(=O)N[C@H](CO)C(=O)O)cc1
InChIInChI=1S/C12H15NO6/c1-18-9-4-2-8(3-5-9)7-19-12(17)13-10(6-14)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyRMBWJEJTGNHCMK-SNVBAGLBSA-N
MW269.25 g/mol
LogP0.37
Rot. Bonds6

About (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid

(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid (PubChem CID 18611397) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid
PubChem CID18611397
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid
SMILESCOc1ccc(COC(=O)N[C@H](CO)C(=O)O)cc1
InChIInChI=1S/C12H15NO6/c1-18-9-4-2-8(3-5-9)7-19-12(17)13-10(6-14)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyRMBWJEJTGNHCMK-SNVBAGLBSA-N
XLogP0.37
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
methyl 3-(4-methoxyphenyl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 141457843
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
(4-methoxyphenyl)methyl N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10412664
(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 6992454
(2R)-2-[[(5R)-6-[(4-methoxyphenyl)methoxy]-5-[(4-methoxyphenyl)methoxycarbonylamino]-6-oxohexanoyl]amino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid
CID 10746994
benzyl N-[(2S)-3-hydroxy-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-1-oxopropan-2-yl]carbamate
CID 139635601
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
ethane;2-[[4-(methoxymethyl)phenyl]methoxycarbonylamino]-3-phenylpropanoic acid
CID 90811046
(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 78319243
methyl (2S)-3-[4-[3-(4-methoxyphenoxy)phenoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 135082555

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid (CID 18611397) is (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid is COc1ccc(COC(=O)N[C@H](CO)C(=O)O)cc1.
What is the InChIKey of (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid?
The InChIKey is RMBWJEJTGNHCMK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO6/c1-18-9-4-2-8(3-5-9)7-19-12(17)13-10(6-14)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid?
(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid has a molecular weight of 269.25 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid is sourced from PubChem (CID 18611397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).