2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid

C9H15N3O6 — CID 162407755

IUPAC2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid
SMILESNCC(=O)N1C(CO)OC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O6/c10-1-6(14)12-5(4-18-7(12)3-13)9(17)11-2-8(15)16/h5,7,13H,1-4,10H2,(H,11,17)(H,15,16)/t5-,7?/m0/s1
InChIKeyRWGJSZKBMNMOQO-DSEUIKHZSA-N
MW261.23 g/mol
LogP-3.31
Rot. Bonds5

About 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid

2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid (PubChem CID 162407755) has the molecular formula C9H15N3O6 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid
PubChem CID162407755
Molecular FormulaC9H15N3O6
Molecular Weight261.23 g/mol
Exact Mass261.10
IUPAC Name2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid
SMILESNCC(=O)N1C(CO)OC[C@H]1C(=O)NCC(=O)O
InChIInChI=1S/C9H15N3O6/c10-1-6(14)12-5(4-18-7(12)3-13)9(17)11-2-8(15)16/h5,7,13H,1-4,10H2,(H,11,17)(H,15,16)/t5-,7?/m0/s1
InChIKeyRWGJSZKBMNMOQO-DSEUIKHZSA-N
XLogP-3.31
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-3.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

Tert-butyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10860915
O,N-diacetylserylglycine
CID 129820570
2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid
CID 162408652
3-[2-(Ethylamino)acetyl]-1,3-oxazolidine-4-carboxylic acid
CID 9859060
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(2-hydroxyethoxy)propanoic acid
CID 87856003
(2S)-2-[[(2S)-2-[3-(2-hydroxyethoxy)propanoylamino]propanoyl]amino]propanoic acid
CID 132134004
2-[2-[3-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid
CID 135353043
2-[[2-[3-[2-[2-(2-Aminopropoxy)ethoxy]ethoxy]propanoylamino]acetyl]amino]propanoic acid
CID 156780319
propyl N-[3-(2-hydroxyethoxy)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate
CID 163601154
tert-butyl (4S)-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10893362
ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 50851138
ethyl 2-[(4S)-4-(2-aminoethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 50851140

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid (CID 162407755) is 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid is NCC(=O)N1C(CO)OC[C@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The InChIKey is RWGJSZKBMNMOQO-DSEUIKHZSA-N. The full InChI is InChI=1S/C9H15N3O6/c10-1-6(14)12-5(4-18-7(12)3-13)9(17)11-2-8(15)16/h5,7,13H,1-4,10H2,(H,11,17)(H,15,16)/t5-,7?/m0/s1.
What are the key properties of 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid has a molecular weight of 261.23 g/mol, XLogP of -3.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 162407755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).