4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid

C11H20N2O4 — CID 60835383

IUPAC4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC1CNC(=O)O1
InChIInChI=1S/C11H20N2O4/c1-8(2)13(5-3-4-10(14)15)7-9-6-12-11(16)17-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyZSVZZHPDLDFGAW-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds7

About 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid

4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid (PubChem CID 60835383) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid
PubChem CID60835383
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC1CNC(=O)O1
InChIInChI=1S/C11H20N2O4/c1-8(2)13(5-3-4-10(14)15)7-9-6-12-11(16)17-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyZSVZZHPDLDFGAW-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride
CID 166439676
(2S)-3-methyl-2-(2-pyrrolidin-1-ylethoxycarbonylamino)butanoic acid
CID 10400288
4-Amino-2-[carboxymethyl(ethoxycarbonyl)amino]butanoic acid
CID 21191620
(S)-4-(Diethylamino)-2-((methoxycarbonyl)amino)butanoic acid
CID 59166505
(4S)-4-[2-(methoxymethylamino)-2-oxoethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 69107668
methyl (2S)-2-amino-3-hydroxy-4-(2-oxopyrrolidin-1-yl)butanoate
CID 70853085
4-(Diethylamino)-2-(methoxycarbonylamino)butanoic acid
CID 72236037
2-(Butoxycarbonylamino)-4-(dimethylamino)butanoic acid
CID 87704165
(2S)-2-[[(3R)-pyrrolidin-3-yl]oxycarbonylamino]propanoic acid
CID 90824525
(2S)-4-amino-2-(butoxycarbonylamino)butanoic acid
CID 118446469
2-Amino-2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]acetic acid
CID 123152346
N-[[(4R,5R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 140140566

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid (CID 60835383) is 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)CC1CNC(=O)O1.
What is the InChIKey of 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid?
The InChIKey is ZSVZZHPDLDFGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)13(5-3-4-10(14)15)7-9-6-12-11(16)17-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid?
4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60835383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).