2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid

C15H28N2O6 — CID 174371592

IUPAC2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCOC(=O)C(O)CN(CC(C)C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C15H28N2O6/c1-6-23-14(21)11(18)8-17(7-9(2)3)15(22)16-12(10(4)5)13(19)20/h9-12,18H,6-8H2,1-5H3,(H,16,22)(H,19,20)
InChIKeyPQMVNGQCFBGNEC-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.69
Rot. Bonds9

About 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid

2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 174371592) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID174371592
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Name2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCOC(=O)C(O)CN(CC(C)C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C15H28N2O6/c1-6-23-14(21)11(18)8-17(7-9(2)3)15(22)16-12(10(4)5)13(19)20/h9-12,18H,6-8H2,1-5H3,(H,16,22)(H,19,20)
InChIKeyPQMVNGQCFBGNEC-UHFFFAOYSA-N
XLogP0.69
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

(2S)-2-[[[(2S)-3-ethoxy-2-hydroxy-3-oxopropyl]-(2-methylpropyl)carbamoyl]amino]-4-phenylbutanoic acid
CID 70259828
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 62955217
2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918
(2R)-2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010409
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
3-methyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009419
(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
3-butan-2-yl-1,1-bis(2-methylpropyl)urea
CID 45366563
ethyl (2S)-2-[[benzyl-(3-ethoxy-2-hydroxy-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoate
CID 142664278

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid (CID 174371592) is 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid is CCOC(=O)C(O)CN(CC(C)C)C(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is PQMVNGQCFBGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-6-23-14(21)11(18)8-17(7-9(2)3)15(22)16-12(10(4)5)13(19)20/h9-12,18H,6-8H2,1-5H3,(H,16,22)(H,19,20).
What are the key properties of 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 332.40 g/mol, XLogP of 0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxy-2-hydroxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 174371592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).