(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid

C13H23N3O5 — CID 107827056

IUPAC(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)N(CCO)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H23N3O5/c14-11(18)8-10(12(19)20)15-13(21)16(6-7-17)9-4-2-1-3-5-9/h9-10,17H,1-8H2,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyGEVZBLDFMWKDFR-SNVBAGLBSA-N
MW301.34 g/mol
LogP-0.35
Rot. Bonds7

About (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid

(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 107827056) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID107827056
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)N(CCO)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H23N3O5/c14-11(18)8-10(12(19)20)15-13(21)16(6-7-17)9-4-2-1-3-5-9/h9-10,17H,1-8H2,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyGEVZBLDFMWKDFR-SNVBAGLBSA-N
XLogP-0.35
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

Einecs 251-797-9
CID 56842538
4-Amino-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107481605
4-Amino-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107481863
(2S)-4-amino-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107481962
(2R)-4-amino-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107829574
(2R)-4-amino-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107829577
(2S)-4-amino-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 113964614
4-Amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid
CID 18917999
(2S)-4-amino-2-(morpholine-4-carbonylamino)-4-oxobutanoic acid
CID 54534605
(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218
3-Hexanoyl-6-oxo-2-pentylhexahydropyrimidine-4-carboxylic acid
CID 66986029
2-amino-4-[[3-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]cyclohexyl]amino]-4-oxobutanoic acid
CID 67154792

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid (CID 107827056) is (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)N(CCO)C1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is GEVZBLDFMWKDFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O5/c14-11(18)8-10(12(19)20)15-13(21)16(6-7-17)9-4-2-1-3-5-9/h9-10,17H,1-8H2,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 301.34 g/mol, XLogP of -0.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107827056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).