3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide

C9H18N2O2 — CID 44606488

IUPAC3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide
SMILES[2H]C(N)(CCC)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-8,12H,2-5,10H2,1H3,(H,11,13)/i7D
InChIKeyDRNGSSWBFKDSEE-WHRKIXHSSA-N
MW187.26 g/mol
LogP-0.25
Rot. Bonds5

About 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide

3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide (PubChem CID 44606488) has the molecular formula C9H18N2O2 and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide
PubChem CID44606488
Molecular FormulaC9H18N2O2
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide
SMILES[2H]C(N)(CCC)C(O)C(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-8,12H,2-5,10H2,1H3,(H,11,13)/i7D
InChIKeyDRNGSSWBFKDSEE-WHRKIXHSSA-N
XLogP-0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide?
The IUPAC name of 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide (CID 44606488) is 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide is [2H]C(N)(CCC)C(O)C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide?
The InChIKey is DRNGSSWBFKDSEE-WHRKIXHSSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-8,12H,2-5,10H2,1H3,(H,11,13)/i7D.
What are the key properties of 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide?
3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide has a molecular weight of 187.26 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-3-deuterio-2-hydroxyhexanamide is sourced from PubChem (CID 44606488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).