2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide

C11H21N3O3 — CID 64913901

IUPAC2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCC1CCCCC1O
InChIInChI=1S/C11H21N3O3/c12-8(5-10(13)16)11(17)14-6-7-3-1-2-4-9(7)15/h7-9,15H,1-6,12H2,(H2,13,16)(H,14,17)
InChIKeyPZRCUHOPNYLRJP-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.14
Rot. Bonds5

About 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide

2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide (PubChem CID 64913901) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide
PubChem CID64913901
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCC1CCCCC1O
InChIInChI=1S/C11H21N3O3/c12-8(5-10(13)16)11(17)14-6-7-3-1-2-4-9(7)15/h7-9,15H,1-6,12H2,(H2,13,16)(H,14,17)
InChIKeyPZRCUHOPNYLRJP-UHFFFAOYSA-N
XLogP-1.14
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide?
The IUPAC name of 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide (CID 64913901) is 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide?
The canonical SMILES for 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide is NC(=O)CC(N)C(=O)NCC1CCCCC1O.
What is the InChIKey of 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide?
The InChIKey is PZRCUHOPNYLRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-8(5-10(13)16)11(17)14-6-7-3-1-2-4-9(7)15/h7-9,15H,1-6,12H2,(H2,13,16)(H,14,17).
What are the key properties of 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide?
2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide has a molecular weight of 243.31 g/mol, XLogP of -1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-hydroxycyclohexyl)methyl]butanediamide is sourced from PubChem (CID 64913901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).