(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide

C9H18N2O2 — CID 16739337

IUPAC(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
SMILESCCC[C@H](N)[C@H](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)/t7-,8-/m0/s1
InChIKeyDRNGSSWBFKDSEE-YUMQZZPRSA-N
MW186.25 g/mol
LogP-0.25
Rot. Bonds5

About (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide

(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide (PubChem CID 16739337) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide.

Molecular Properties

Compound Name(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
PubChem CID16739337
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
SMILESCCC[C@H](N)[C@H](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)/t7-,8-/m0/s1
InChIKeyDRNGSSWBFKDSEE-YUMQZZPRSA-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 ≤ 500186.25
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 (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
The IUPAC name of (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide (CID 16739337) is (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide.
What is the SMILES notation for (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
The canonical SMILES for (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide is CCC[C@H](N)[C@H](O)C(=O)NC1CC1.
What is the InChIKey of (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
The InChIKey is DRNGSSWBFKDSEE-YUMQZZPRSA-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)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide?
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide has a molecular weight of 186.25 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 (2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide is sourced from PubChem (CID 16739337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).