(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid

C13H24N2O5 — CID 107566625

IUPAC(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CC(=O)OCC)C(C)C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-7-10(12(17)18)14-13(19)15(9(3)4)8-11(16)20-6-2/h9-10H,5-8H2,1-4H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyPVDXRVIHLFADAK-SNVBAGLBSA-N
MW288.34 g/mol
LogP1.22
Rot. Bonds8

About (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid

(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid (PubChem CID 107566625) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
PubChem CID107566625
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(CC(=O)OCC)C(C)C)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-7-10(12(17)18)14-13(19)15(9(3)4)8-11(16)20-6-2/h9-10H,5-8H2,1-4H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyPVDXRVIHLFADAK-SNVBAGLBSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid
CID 107145838
2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62475240
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 107830741
2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid
CID 79491051
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55006428

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid (CID 107566625) is (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(CC(=O)OCC)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid?
The InChIKey is PVDXRVIHLFADAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-7-10(12(17)18)14-13(19)15(9(3)4)8-11(16)20-6-2/h9-10H,5-8H2,1-4H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid?
(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107566625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).