(2R)-2-amino-N-(2-cyclohexylethyl)butanediamide

C12H23N3O2 — CID 93353447

IUPAC(2R)-2-amino-N-(2-cyclohexylethyl)butanediamide
SMILESNC(=O)C[C@@H](N)C(=O)NCCC1CCCCC1
InChIInChI=1S/C12H23N3O2/c13-10(8-11(14)16)12(17)15-7-6-9-4-2-1-3-5-9/h9-10H,1-8,13H2,(H2,14,16)(H,15,17)/t10-/m1/s1
InChIKeyVPNFAVVURFHBBW-SNVBAGLBSA-N
MW241.33 g/mol
LogP0.28
Rot. Bonds6

About (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide

(2R)-2-amino-N-(2-cyclohexylethyl)butanediamide (PubChem CID 93353447) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyclohexylethyl)butanediamide
PubChem CID93353447
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2R)-2-amino-N-(2-cyclohexylethyl)butanediamide
SMILESNC(=O)C[C@@H](N)C(=O)NCCC1CCCCC1
InChIInChI=1S/C12H23N3O2/c13-10(8-11(14)16)12(17)15-7-6-9-4-2-1-3-5-9/h9-10H,1-8,13H2,(H2,14,16)(H,15,17)/t10-/m1/s1
InChIKeyVPNFAVVURFHBBW-SNVBAGLBSA-N
XLogP0.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide?
The IUPAC name of (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide (CID 93353447) is (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide is NC(=O)C[C@@H](N)C(=O)NCCC1CCCCC1.
What is the InChIKey of (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide?
The InChIKey is VPNFAVVURFHBBW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-10(8-11(14)16)12(17)15-7-6-9-4-2-1-3-5-9/h9-10H,1-8,13H2,(H2,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide?
(2R)-2-amino-N-(2-cyclohexylethyl)butanediamide has a molecular weight of 241.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyclohexylethyl)butanediamide is sourced from PubChem (CID 93353447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).