tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid

C13H26N2O2 — CID 67085177

IUPACtert-butyl-[2-(cyclopentylamino)propyl]carbamic acid
SMILESCC(CN(C(=O)O)C(C)(C)C)NC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(14-11-7-5-6-8-11)9-15(12(16)17)13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyKMWBRKWPIXKEKR-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.69
Rot. Bonds4

About tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid

tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid (PubChem CID 67085177) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(cyclopentylamino)propyl]carbamic acid
PubChem CID67085177
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl-[2-(cyclopentylamino)propyl]carbamic acid
SMILESCC(CN(C(=O)O)C(C)(C)C)NC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-10(14-11-7-5-6-8-11)9-15(12(16)17)13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyKMWBRKWPIXKEKR-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid
CID 138610691
tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067
[(2R)-2-aminopropyl]-tert-butylcarbamic acid
CID 97170149
2-(cyclododecylamino)propan-1-ol
CID 43499740
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 67128396
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
2-(cyclopentylamino)-2,3-dimethylbutanoic acid
CID 62488797
2-N-cyclobutyl-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 162433751
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid (CID 67085177) is tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid is CC(CN(C(=O)O)C(C)(C)C)NC1CCCC1.
What is the InChIKey of tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid?
The InChIKey is KMWBRKWPIXKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(14-11-7-5-6-8-11)9-15(12(16)17)13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid?
tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid has a molecular weight of 242.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid is sourced from PubChem (CID 67085177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).