[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid

C15H20N2O7 — CID 150509300

IUPAC[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid
SMILESCOC(=O)[C@@H](C)N(NC(=O)O)C(=O)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C15H20N2O7/c1-10(14(20)23-2)17(16-15(21)22)13(19)12(8-18)24-9-11-6-4-3-5-7-11/h3-7,10,12,16,18H,8-9H2,1-2H3,(H,21,22)/t10-,12+/m1/s1
InChIKeyHZMNXQBYMKGLQI-PWSUYJOCSA-N
MW340.33 g/mol
LogP0.14
Rot. Bonds7

About [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid

[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid (PubChem CID 150509300) has the molecular formula C15H20N2O7 and a molecular weight of 340.33 g/mol. Its IUPAC name is [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid.

Molecular Properties

Compound Name[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid
PubChem CID150509300
Molecular FormulaC15H20N2O7
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Name[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid
SMILESCOC(=O)[C@@H](C)N(NC(=O)O)C(=O)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C15H20N2O7/c1-10(14(20)23-2)17(16-15(21)22)13(19)12(8-18)24-9-11-6-4-3-5-7-11/h3-7,10,12,16,18H,8-9H2,1-2H3,(H,21,22)/t10-,12+/m1/s1
InChIKeyHZMNXQBYMKGLQI-PWSUYJOCSA-N
XLogP0.14
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid with MolForge

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Related Compounds

methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl (2R,3S,4R)-4-hydroxy-3-methyl-2-phenylmethoxypentanoate
CID 11791672
(2S)-4-methyl-2-phenylmethoxypentanamide
CID 141033880
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylmethoxypropanamide
CID 112548097
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
3-O-benzyl 1-O-methyl 2-aminopropanedioate;hydrochloride
CID 14861668
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708
methyl (2R)-2-[[(3R)-3-aminobutyl]-phenylmethoxycarbonylamino]propanoate
CID 69154974

Frequently Asked Questions

What is the IUPAC name of [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid?
The IUPAC name of [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid (CID 150509300) is [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid.
What is the SMILES notation for [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid?
The canonical SMILES for [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid is COC(=O)[C@@H](C)N(NC(=O)O)C(=O)[C@H](CO)OCc1ccccc1.
What is the InChIKey of [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid?
The InChIKey is HZMNXQBYMKGLQI-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20N2O7/c1-10(14(20)23-2)17(16-15(21)22)13(19)12(8-18)24-9-11-6-4-3-5-7-11/h3-7,10,12,16,18H,8-9H2,1-2H3,(H,21,22)/t10-,12+/m1/s1.
What are the key properties of [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid?
[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid has a molecular weight of 340.33 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid is sourced from PubChem (CID 150509300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).