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

C10H20N2O2 — CID 58369453

IUPAC(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H]1CC[C@H](O)[C@@H](C)C1
InChIInChI=1S/C10H20N2O2/c1-6-5-8(3-4-9(6)13)12-10(14)7(2)11/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)/t6-,7+,8-,9-/m0/s1
InChIKeyCHDRYUOQYFUCSQ-KZVJFYERSA-N
MW200.28 g/mol
LogP-0.00
Rot. Bonds2

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

(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide (PubChem CID 58369453) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide
PubChem CID58369453
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H]1CC[C@H](O)[C@@H](C)C1
InChIInChI=1S/C10H20N2O2/c1-6-5-8(3-4-9(6)13)12-10(14)7(2)11/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)/t6-,7+,8-,9-/m0/s1
InChIKeyCHDRYUOQYFUCSQ-KZVJFYERSA-N
XLogP-0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1S,3R,4R)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 58369464
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
(2R)-2-amino-3-hydroxy-N-[(1S,3R)-4-hydroxy-3-methylcyclohexyl]propanamide
CID 163739799
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
(2R)-2-amino-N-[3-(dimethylamino)cyclopentyl]propanamide
CID 131172237
(2R)-2-amino-N-cyclopent-3-en-1-ylpropanamide
CID 104863900
2-amino-N-(2,6-dimethylcyclohexyl)propanamide
CID 86248959
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide (CID 58369453) is (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide is C[C@@H](N)C(=O)N[C@H]1CC[C@H](O)[C@@H](C)C1.
What is the InChIKey of (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide?
The InChIKey is CHDRYUOQYFUCSQ-KZVJFYERSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-5-8(3-4-9(6)13)12-10(14)7(2)11/h6-9,13H,3-5,11H2,1-2H3,(H,12,14)/t6-,7+,8-,9-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide?
(2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide has a molecular weight of 200.28 g/mol, XLogP of -0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]propanamide is sourced from PubChem (CID 58369453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).