(2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide

C10H20N2O3 — CID 163739799

IUPAC(2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide
SMILESC[C@@H]1C[C@@H](NC(=O)[C@H](N)CO)CCC1O
InChIInChI=1S/C10H20N2O3/c1-6-4-7(2-3-9(6)14)12-10(15)8(11)5-13/h6-9,13-14H,2-5,11H2,1H3,(H,12,15)/t6-,7+,8-,9?/m1/s1
InChIKeyLGTWXLFENZVBFY-OBCZXFEGSA-N
MW216.28 g/mol
LogP-1.03
Rot. Bonds3

About (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide

(2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide (PubChem CID 163739799) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide
PubChem CID163739799
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide
SMILESC[C@@H]1C[C@@H](NC(=O)[C@H](N)CO)CCC1O
InChIInChI=1S/C10H20N2O3/c1-6-4-7(2-3-9(6)14)12-10(15)8(11)5-13/h6-9,13-14H,2-5,11H2,1H3,(H,12,15)/t6-,7+,8-,9?/m1/s1
InChIKeyLGTWXLFENZVBFY-OBCZXFEGSA-N
XLogP-1.03
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369453
(2R)-2-amino-N-[(1S,3R,4R)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369464
(2R)-2-amino-3-hydroxy-N-(4-hydroxycyclohexyl)propanamide
CID 70908971
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
2-amino-3-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114546127
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide (CID 163739799) is (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide is C[C@@H]1C[C@@H](NC(=O)[C@H](N)CO)CCC1O.
What is the InChIKey of (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide?
The InChIKey is LGTWXLFENZVBFY-OBCZXFEGSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6-4-7(2-3-9(6)14)12-10(15)8(11)5-13/h6-9,13-14H,2-5,11H2,1H3,(H,12,15)/t6-,7+,8-,9?/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide?
(2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide has a molecular weight of 216.28 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide is sourced from PubChem (CID 163739799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).