1-aminopropan-2-yl(tert-butyl)carbamic acid

C8H18N2O2 — CID 18956038

IUPAC1-aminopropan-2-yl(tert-butyl)carbamic acid
SMILESCC(CN)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(5-9)10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)
InChIKeyBLUGZPAVGDGSMB-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.11
Rot. Bonds2

About 1-aminopropan-2-yl(tert-butyl)carbamic acid

1-aminopropan-2-yl(tert-butyl)carbamic acid (PubChem CID 18956038) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-aminopropan-2-yl(tert-butyl)carbamic acid.

Molecular Properties

Compound Name1-aminopropan-2-yl(tert-butyl)carbamic acid
PubChem CID18956038
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-aminopropan-2-yl(tert-butyl)carbamic acid
SMILESCC(CN)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(5-9)10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12)
InChIKeyBLUGZPAVGDGSMB-UHFFFAOYSA-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

[(2R)-4-aminobutan-2-yl]-tert-butylcarbamic acid
CID 71650806
[(2R)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
CID 118073922
[(2S)-1-aminooxypropan-2-yl]-tert-butylcarbamic acid
CID 87267527
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689
1-aminopropan-2-yl(ethyl)carbamic acid
CID 134540126
tert-butyl-[(2S,3R)-4-chloro-3-hydroxybutan-2-yl]carbamic acid
CID 90074078
tert-butyl(pent-1-yn-3-yl)carbamic acid
CID 87498438
(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid
CID 86619449
N-acetyl-N-(1-aminopropan-2-yl)acetamide
CID 71330425
2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
CID 131224561
1-aminopropan-2-yl(prop-2-enyl)carbamic acid
CID 122620115
[(2S)-1-acetyloxyimino-1-aminopropan-2-yl]-tert-butylcarbamic acid
CID 173067942

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl(tert-butyl)carbamic acid?
The IUPAC name of 1-aminopropan-2-yl(tert-butyl)carbamic acid (CID 18956038) is 1-aminopropan-2-yl(tert-butyl)carbamic acid.
What is the SMILES notation for 1-aminopropan-2-yl(tert-butyl)carbamic acid?
The canonical SMILES for 1-aminopropan-2-yl(tert-butyl)carbamic acid is CC(CN)N(C(=O)O)C(C)(C)C.
What is the InChIKey of 1-aminopropan-2-yl(tert-butyl)carbamic acid?
The InChIKey is BLUGZPAVGDGSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(5-9)10(7(11)12)8(2,3)4/h6H,5,9H2,1-4H3,(H,11,12).
What are the key properties of 1-aminopropan-2-yl(tert-butyl)carbamic acid?
1-aminopropan-2-yl(tert-butyl)carbamic 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 1-aminopropan-2-yl(tert-butyl)carbamic acid is sourced from PubChem (CID 18956038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).