(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide

C16H26N4O3 — CID 70065036

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NC(=O)CCn1ccnc1
InChIInChI=1S/C16H26N4O3/c17-13(10-12-4-2-1-3-5-12)15(22)16(23)19-14(21)6-8-20-9-7-18-11-20/h7,9,11-13,15,22H,1-6,8,10,17H2,(H,19,21,23)/t13-,15?/m1/s1
InChIKeyMSKZWHCOICMVGR-AFYYWNPRSA-N
MW322.41 g/mol
LogP0.57
Rot. Bonds7

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide (PubChem CID 70065036) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide
PubChem CID70065036
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)NC(=O)CCn1ccnc1
InChIInChI=1S/C16H26N4O3/c17-13(10-12-4-2-1-3-5-12)15(22)16(23)19-14(21)6-8-20-9-7-18-11-20/h7,9,11-13,15,22H,1-6,8,10,17H2,(H,19,21,23)/t13-,15?/m1/s1
InChIKeyMSKZWHCOICMVGR-AFYYWNPRSA-N
XLogP0.57
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide (CID 70065036) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide is N[C@H](CC1CCCCC1)C(O)C(=O)NC(=O)CCn1ccnc1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide?
The InChIKey is MSKZWHCOICMVGR-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H26N4O3/c17-13(10-12-4-2-1-3-5-12)15(22)16(23)19-14(21)6-8-20-9-7-18-11-20/h7,9,11-13,15,22H,1-6,8,10,17H2,(H,19,21,23)/t13-,15?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide has a molecular weight of 322.41 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide is sourced from PubChem (CID 70065036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).