[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid

C10H20N2O2 — CID 130475601

IUPAC[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12(9(13)14)8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyOXOPTSQLGJACQA-SFYZADRCSA-N
MW200.28 g/mol
LogP1.64
Rot. Bonds1

About [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid

[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid (PubChem CID 130475601) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid
PubChem CID130475601
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12(9(13)14)8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyOXOPTSQLGJACQA-SFYZADRCSA-N
XLogP1.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-tert-butylcarbamic acid
CID 67110665
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 166789898
tert-butyl-[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]carbamic acid
CID 71237521
tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
CID 130431191
tert-butyl-[(1R,3R)-3-cyanocyclohexyl]carbamic acid
CID 67278135
tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid
CID 66990913
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008
tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
CID 87114483
[4-amino-3-(phenylcarbamoyloxymethyl)cyclohexyl]-tert-butylcarbamic acid
CID 69286015
2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride
CID 176884984

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid (CID 130475601) is [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](N)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid?
The InChIKey is OXOPTSQLGJACQA-SFYZADRCSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)12(9(13)14)8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,13,14)/t7-,8+/m1/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid?
[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid has a molecular weight of 200.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid is sourced from PubChem (CID 130475601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).