[(2R)-2-aminopropyl]-tert-butylcarbamic acid

C8H18N2O2 — CID 97170149

IUPAC[(2R)-2-aminopropyl]-tert-butylcarbamic acid
SMILESC[C@@H](N)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(9)5-10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyUNJYGTQWYVKQEF-ZCFIWIBFSA-N
MW174.24 g/mol
LogP1.11
Rot. Bonds2

About [(2R)-2-aminopropyl]-tert-butylcarbamic acid

[(2R)-2-aminopropyl]-tert-butylcarbamic acid (PubChem CID 97170149) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(2R)-2-aminopropyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(2R)-2-aminopropyl]-tert-butylcarbamic acid
PubChem CID97170149
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[(2R)-2-aminopropyl]-tert-butylcarbamic acid
SMILESC[C@@H](N)CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(9)5-10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyUNJYGTQWYVKQEF-ZCFIWIBFSA-N
XLogP1.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminobutyl]-tert-butylcarbamic acid
CID 97170377
tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid
CID 138610691
(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid
CID 86619449
tert-butyl-[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
CID 23567967
[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
CID 68602940
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200
tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid
CID 67085177
[2-amino-2-(2-chlorophenyl)ethyl]-tert-butylcarbamic acid
CID 67066199
2-(4-bromophenyl)propyl-tert-butylcarbamic acid
CID 22996525
[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-tert-butylcarbamic acid
CID 175409845
2-aminooxyethyl(tert-butyl)carbamic acid
CID 86619024
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
CID 90010746

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-aminopropyl]-tert-butylcarbamic acid?
The IUPAC name of [(2R)-2-aminopropyl]-tert-butylcarbamic acid (CID 97170149) is [(2R)-2-aminopropyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(2R)-2-aminopropyl]-tert-butylcarbamic acid?
The canonical SMILES for [(2R)-2-aminopropyl]-tert-butylcarbamic acid is C[C@@H](N)CN(C(=O)O)C(C)(C)C.
What is the InChIKey of [(2R)-2-aminopropyl]-tert-butylcarbamic acid?
The InChIKey is UNJYGTQWYVKQEF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(9)5-10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)/t6-/m1/s1.
What are the key properties of [(2R)-2-aminopropyl]-tert-butylcarbamic acid?
[(2R)-2-aminopropyl]-tert-butylcarbamic acid has a molecular weight of 174.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-aminopropyl]-tert-butylcarbamic acid is sourced from PubChem (CID 97170149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).