butan-2-ylcarbamic acid

C5H11NO2 — CID 3030880

IUPACbutan-2-ylcarbamic acid
SMILESCCC(C)NC(=O)O
InChIInChI=1S/C5H11NO2/c1-3-4(2)6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyQCIGLPLDNRDLQQ-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.05
Rot. Bonds2

About butan-2-ylcarbamic acid

butan-2-ylcarbamic acid (PubChem CID 3030880) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is butan-2-ylcarbamic acid.

Molecular Properties

Compound Namebutan-2-ylcarbamic acid
PubChem CID3030880
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namebutan-2-ylcarbamic acid
SMILESCCC(C)NC(=O)O
InChIInChI=1S/C5H11NO2/c1-3-4(2)6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyQCIGLPLDNRDLQQ-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutylcarbamic acid
CID 275698
CID 5247103
CID 5247103
N-Hexylcarbamic acid
CID 14741611
Isopropylcarbamic acid
CID 504238
N-Isopropylcarbamate
CID 9543087
Carbamic acid, cyclopropyl-
CID 21412469
Methyl sec-butylcarbamate
CID 38214
Propylcarbamic acid
CID 14201686
Methyl isopropylcarbamate
CID 568334
Methyl cyclopropylcarbamate
CID 3526102
[(2~{R})-1-azanylpropan-2-yl]carbamic acid
CID 87166072
[(2~{S})-2-azanylpropyl]carbamic acid
CID 87683504

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcarbamic acid?
The IUPAC name of butan-2-ylcarbamic acid (CID 3030880) is butan-2-ylcarbamic acid.
What is the SMILES notation for butan-2-ylcarbamic acid?
The canonical SMILES for butan-2-ylcarbamic acid is CCC(C)NC(=O)O.
What is the InChIKey of butan-2-ylcarbamic acid?
The InChIKey is QCIGLPLDNRDLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-4(2)6-5(7)8/h4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of butan-2-ylcarbamic acid?
butan-2-ylcarbamic acid has a molecular weight of 117.15 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcarbamic acid is sourced from PubChem (CID 3030880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).