7-(carboxyamino)octan-2-ylcarbamic acid

C10H20N2O4 — CID 146545695

IUPAC7-(carboxyamino)octan-2-ylcarbamic acid
SMILESCC(CCCCC(C)NC(=O)O)NC(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(11-9(13)14)5-3-4-6-8(2)12-10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGZJOPVOWDOTROA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds7

About 7-(carboxyamino)octan-2-ylcarbamic acid

7-(carboxyamino)octan-2-ylcarbamic acid (PubChem CID 146545695) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-(carboxyamino)octan-2-ylcarbamic acid.

Molecular Properties

Compound Name7-(carboxyamino)octan-2-ylcarbamic acid
PubChem CID146545695
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name7-(carboxyamino)octan-2-ylcarbamic acid
SMILESCC(CCCCC(C)NC(=O)O)NC(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(11-9(13)14)5-3-4-6-8(2)12-10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGZJOPVOWDOTROA-UHFFFAOYSA-N
XLogP1.86
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxypentan-2-ylcarbamic acid
CID 87586302
non-8-en-2-ylcarbamic acid
CID 175945835
5-(ethylamino)pentan-2-ylcarbamic acid
CID 87840492
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
CID 141446573
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
pent-4-en-2-ylcarbamic acid
CID 146626901
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
1-sulfamoylpropan-2-ylcarbamic acid
CID 170165167

Frequently Asked Questions

What is the IUPAC name of 7-(carboxyamino)octan-2-ylcarbamic acid?
The IUPAC name of 7-(carboxyamino)octan-2-ylcarbamic acid (CID 146545695) is 7-(carboxyamino)octan-2-ylcarbamic acid.
What is the SMILES notation for 7-(carboxyamino)octan-2-ylcarbamic acid?
The canonical SMILES for 7-(carboxyamino)octan-2-ylcarbamic acid is CC(CCCCC(C)NC(=O)O)NC(=O)O.
What is the InChIKey of 7-(carboxyamino)octan-2-ylcarbamic acid?
The InChIKey is GZJOPVOWDOTROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(11-9(13)14)5-3-4-6-8(2)12-10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 7-(carboxyamino)octan-2-ylcarbamic acid?
7-(carboxyamino)octan-2-ylcarbamic acid has a molecular weight of 232.28 g/mol, XLogP of 1.86, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(carboxyamino)octan-2-ylcarbamic acid is sourced from PubChem (CID 146545695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).