methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate

C10H16N2O6 — CID 88942115

IUPACmethyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate
SMILESC=C(C)OC(=O)N[C@@H](CNC(=O)CO)C(=O)OC
InChIInChI=1S/C10H16N2O6/c1-6(2)18-10(16)12-7(9(15)17-3)4-11-8(14)5-13/h7,13H,1,4-5H2,2-3H3,(H,11,14)(H,12,16)/t7-/m0/s1
InChIKeyZHFRCDKCFQBPOJ-ZETCQYMHSA-N
MW260.25 g/mol
LogP-1.10
Rot. Bonds6

About methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate

methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate (PubChem CID 88942115) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate
PubChem CID88942115
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Namemethyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate
SMILESC=C(C)OC(=O)N[C@@H](CNC(=O)CO)C(=O)OC
InChIInChI=1S/C10H16N2O6/c1-6(2)18-10(16)12-7(9(15)17-3)4-11-8(14)5-13/h7,13H,1,4-5H2,2-3H3,(H,11,14)(H,12,16)/t7-/m0/s1
InChIKeyZHFRCDKCFQBPOJ-ZETCQYMHSA-N
XLogP-1.10
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-(methoxycarbonylamino)-3-[[3-methoxy-2-(methoxycarbonylamino)-3-oxopropyl]disulfanyl]propanoate
CID 20653696
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate
CID 88888785
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
ethane;2-hydroxy-N-(3-hydroxy-2-methoxypropyl)acetamide
CID 143639153
N-(2-amino-2-hydroxyethyl)-2-hydroxyacetamide
CID 146429713
prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate
CID 88901077
methyl 2-(carbamoylamino)-4-methylpent-4-enoate
CID 86744408
dimethyl 2-[[2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 46833858
methyl 4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 59676163
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate (CID 88942115) is methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate is C=C(C)OC(=O)N[C@@H](CNC(=O)CO)C(=O)OC.
What is the InChIKey of methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate?
The InChIKey is ZHFRCDKCFQBPOJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-6(2)18-10(16)12-7(9(15)17-3)4-11-8(14)5-13/h7,13H,1,4-5H2,2-3H3,(H,11,14)(H,12,16)/t7-/m0/s1.
What are the key properties of methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate?
methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate has a molecular weight of 260.25 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate is sourced from PubChem (CID 88942115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).