3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid

C14H22N2O5 — CID 50851742

IUPAC3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H22N2O5/c17-12(18)6-7-15-13(19)11-9-21-14(20)16(11)8-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyXHFOSRVYBJEZQN-NSHDSACASA-N
MW298.34 g/mol
LogP0.98
Rot. Bonds6

About 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid

3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid (PubChem CID 50851742) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
PubChem CID50851742
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H22N2O5/c17-12(18)6-7-15-13(19)11-9-21-14(20)16(11)8-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyXHFOSRVYBJEZQN-NSHDSACASA-N
XLogP0.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
(4S)-4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 164635133
4-(4-Hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 126814116
3-[2-(Ethylamino)-3-methylpentanoyl]-1,3-oxazolidine-4-carboxylic acid
CID 10199050
2-[[1-(4-Cyclohexylbutylamino)-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 19104225
methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 70067247
methyl (4S)-3-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 70067250
tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 173199529
3-[[(4S)-3-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid
CID 50851533
(4S)-N-(3-amino-3-oxopropyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851743
2-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid
CID 50851744
(4S)-3-(cyclohexylmethyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851748

Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid (CID 50851742) is 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
The InChIKey is XHFOSRVYBJEZQN-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O5/c17-12(18)6-7-15-13(19)11-9-21-14(20)16(11)8-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,15,19)(H,17,18)/t11-/m0/s1.
What are the key properties of 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid?
3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid has a molecular weight of 298.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 50851742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).