2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid

C10H17N3O6 — CID 162408652

IUPAC2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid
SMILESC[C@H]1OC(CO)N(C(=O)CN)[C@@H]1C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O6/c1-5-9(10(18)12-3-8(16)17)13(6(15)2-11)7(4-14)19-5/h5,7,9,14H,2-4,11H2,1H3,(H,12,18)(H,16,17)/t5-,7?,9+/m1/s1
InChIKeyBMVDVWHYPLCCAP-YXYZKLFVSA-N
MW275.26 g/mol
LogP-2.92
Rot. Bonds5

About 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid

2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid (PubChem CID 162408652) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid
PubChem CID162408652
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid
SMILESC[C@H]1OC(CO)N(C(=O)CN)[C@@H]1C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O6/c1-5-9(10(18)12-3-8(16)17)13(6(15)2-11)7(4-14)19-5/h5,7,9,14H,2-4,11H2,1H3,(H,12,18)(H,16,17)/t5-,7?,9+/m1/s1
InChIKeyBMVDVWHYPLCCAP-YXYZKLFVSA-N
XLogP-2.92
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-2.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-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
tert-Butyl (4S,5R)-4-carbamoyl-2,2,5-trimethyloxazolidine-3-carboxylate
CID 11470899
2-[[(4S)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid
CID 162407755
Ethyl 2-(3-acetamido-4-hydroxypyrrolidin-1-yl)acetate
CID 18669493
tert-butyl N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
CID 21252075
tert-butyl ((2S,3R)-3-hydroxy-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl)carbamate
CID 54268213
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
methyl 2-[[(2S,3R)-3-hydroxy-2-(methylamino)butanoyl]-methylamino]acetate
CID 57765117
ethyl 2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate
CID 59039264
ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate
CID 59039267
2-[[(2R,3R)-2-amino-3-hydroxybutanoyl]amino]ethyl acetate
CID 59384175
[(2S,3R)-3-methoxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamic acid
CID 67773085

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid (CID 162408652) is 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid is C[C@H]1OC(CO)N(C(=O)CN)[C@@H]1C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
The InChIKey is BMVDVWHYPLCCAP-YXYZKLFVSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-5-9(10(18)12-3-8(16)17)13(6(15)2-11)7(4-14)19-5/h5,7,9,14H,2-4,11H2,1H3,(H,12,18)(H,16,17)/t5-,7?,9+/m1/s1.
What are the key properties of 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid?
2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid has a molecular weight of 275.26 g/mol, XLogP of -2.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 162408652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).