[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid

C14H22N2O3 — CID 134555838

IUPAC[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(CC(N)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)16(13(18)19)12-6-4-10(5-7-12)8-11(15)9-17/h4-7,11,17H,8-9,15H2,1-3H3,(H,18,19)
InChIKeyVBSXFKBDDZHJFD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds4

About [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid

[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid (PubChem CID 134555838) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid
PubChem CID134555838
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(CC(N)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)16(13(18)19)12-6-4-10(5-7-12)8-11(15)9-17/h4-7,11,17H,8-9,15H2,1-3H3,(H,18,19)
InChIKeyVBSXFKBDDZHJFD-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[4-(hydroxymethyl)phenyl]carbamic acid
CID 57348440
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
[3-[(2S)-2-amino-3-methoxypropyl]phenyl]-tert-butylcarbamic acid
CID 134555847
4-[4-(2-amino-3-hydroxypropyl)phenyl]benzoic acid;hydrochloride
CID 170892858
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
4-amino-5-[4-(dimethylamino)phenyl]pentanoic acid
CID 55154057
[4-(2-amino-3-hydroxypropyl)-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
CID 70552556
1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
CID 21425486
N-[4-(2-amino-3-hydroxypropyl)phenyl]benzamide
CID 22634902
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
CID 170892009

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid?
The IUPAC name of [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid (CID 134555838) is [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid.
What is the SMILES notation for [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid?
The canonical SMILES for [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)c1ccc(CC(N)CO)cc1.
What is the InChIKey of [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid?
The InChIKey is VBSXFKBDDZHJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)16(13(18)19)12-6-4-10(5-7-12)8-11(15)9-17/h4-7,11,17H,8-9,15H2,1-3H3,(H,18,19).
What are the key properties of [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid?
[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid has a molecular weight of 266.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid is sourced from PubChem (CID 134555838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).