methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate

C11H13NO5 — CID 43407067

IUPACmethyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO5/c1-16-10(14)9(7-13)12-11(15)17-8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,12,15)
InChIKeyJKWOTVLBVHPPFR-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.31
Rot. Bonds4

About methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate

methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate (PubChem CID 43407067) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
PubChem CID43407067
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO5/c1-16-10(14)9(7-13)12-11(15)17-8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,12,15)
InChIKeyJKWOTVLBVHPPFR-UHFFFAOYSA-N
XLogP0.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 171980527
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181068
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
CID 57295960
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate
CID 10927865
methyl 3-hydroxy-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 4100748

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate (CID 43407067) is methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate is COC(=O)C(CO)NC(=O)Oc1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate?
The InChIKey is JKWOTVLBVHPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-16-10(14)9(7-13)12-11(15)17-8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,12,15).
What are the key properties of methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate?
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate has a molecular weight of 239.23 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate is sourced from PubChem (CID 43407067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).