[(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid

C17H26N2O3 — CID 69297401

IUPAC[(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1ccc([C@H](O)CNC2(C)CCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-12(19-16(21)22)13-5-7-14(8-6-13)15(20)11-18-17(2)9-3-4-10-17/h5-8,12,15,18-20H,3-4,9-11H2,1-2H3,(H,21,22)/t12-,15+/m0/s1
InChIKeyOUCOXIMWVVLQDW-SWLSCSKDSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds6

About [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid

[(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid (PubChem CID 69297401) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid
PubChem CID69297401
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1ccc([C@H](O)CNC2(C)CCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-12(19-16(21)22)13-5-7-14(8-6-13)15(20)11-18-17(2)9-3-4-10-17/h5-8,12,15,18-20H,3-4,9-11H2,1-2H3,(H,21,22)/t12-,15+/m0/s1
InChIKeyOUCOXIMWVVLQDW-SWLSCSKDSA-N
XLogP2.97
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid?
The IUPAC name of [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid (CID 69297401) is [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid is C[C@H](NC(=O)O)c1ccc([C@H](O)CNC2(C)CCCC2)cc1.
What is the InChIKey of [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid?
The InChIKey is OUCOXIMWVVLQDW-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(19-16(21)22)13-5-7-14(8-6-13)15(20)11-18-17(2)9-3-4-10-17/h5-8,12,15,18-20H,3-4,9-11H2,1-2H3,(H,21,22)/t12-,15+/m0/s1.
What are the key properties of [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid?
[(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid has a molecular weight of 306.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-[(1S)-1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]phenyl]ethyl]carbamic acid is sourced from PubChem (CID 69297401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).