[(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid

C12H24N2O2 — CID 69263152

IUPAC[(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid
SMILESC[C@@H](CCCC1CCCC(N)C1)NC(=O)O
InChIInChI=1S/C12H24N2O2/c1-9(14-12(15)16)4-2-5-10-6-3-7-11(13)8-10/h9-11,14H,2-8,13H2,1H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyGMXPGJDGSPLFJO-WHXUTIOJSA-N
MW228.34 g/mol
LogP2.33
Rot. Bonds5

About [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid

[(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid (PubChem CID 69263152) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid
PubChem CID69263152
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid
SMILESC[C@@H](CCCC1CCCC(N)C1)NC(=O)O
InChIInChI=1S/C12H24N2O2/c1-9(14-12(15)16)4-2-5-10-6-3-7-11(13)8-10/h9-11,14H,2-8,13H2,1H3,(H,15,16)/t9-,10?,11?/m0/s1
InChIKeyGMXPGJDGSPLFJO-WHXUTIOJSA-N
XLogP2.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
CID 106592764
2-(3-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777908
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
(3R,4S)-3-amino-7-cyclobutyl-4-methylheptanoic acid
CID 68869099
2-(3-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603511
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
3-(3-aminocyclohexyl)-N-methyl-N-propan-2-ylpropanamide
CID 80701423

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid (CID 69263152) is [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid is C[C@@H](CCCC1CCCC(N)C1)NC(=O)O.
What is the InChIKey of [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid?
The InChIKey is GMXPGJDGSPLFJO-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(14-12(15)16)4-2-5-10-6-3-7-11(13)8-10/h9-11,14H,2-8,13H2,1H3,(H,15,16)/t9-,10?,11?/m0/s1.
What are the key properties of [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid?
[(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid has a molecular weight of 228.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-(3-aminocyclohexyl)pentan-2-yl]carbamic acid is sourced from PubChem (CID 69263152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).