6-aminohexyl(carboxy)carbamic acid

C8H16N2O4 — CID 175058839

IUPAC6-aminohexyl(carboxy)carbamic acid
SMILESNCCCCCCN(C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-5-3-1-2-4-6-10(7(11)12)8(13)14/h1-6,9H2,(H,11,12)(H,13,14)
InChIKeyOKVIXYCILFJGHD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.16
Rot. Bonds6

About 6-aminohexyl(carboxy)carbamic acid

6-aminohexyl(carboxy)carbamic acid (PubChem CID 175058839) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-aminohexyl(carboxy)carbamic acid.

Molecular Properties

Compound Name6-aminohexyl(carboxy)carbamic acid
PubChem CID175058839
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name6-aminohexyl(carboxy)carbamic acid
SMILESNCCCCCCN(C(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-5-3-1-2-4-6-10(7(11)12)8(13)14/h1-6,9H2,(H,11,12)(H,13,14)
InChIKeyOKVIXYCILFJGHD-UHFFFAOYSA-N
XLogP1.16
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[2-[[1-[6-aminohexyl(carboxy)amino]-1-oxopropan-2-yl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 88634829
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223
(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide
CID 141367752
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide
CID 123810886
N',N'-diaminopentane-1,5-diamine
CID 54100618
nonoxycarbonyl(pentyl)carbamic acid
CID 54125876
N,N-bis(6-aminohexyl)benzamide
CID 68737596

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl(carboxy)carbamic acid?
The IUPAC name of 6-aminohexyl(carboxy)carbamic acid (CID 175058839) is 6-aminohexyl(carboxy)carbamic acid.
What is the SMILES notation for 6-aminohexyl(carboxy)carbamic acid?
The canonical SMILES for 6-aminohexyl(carboxy)carbamic acid is NCCCCCCN(C(=O)O)C(=O)O.
What is the InChIKey of 6-aminohexyl(carboxy)carbamic acid?
The InChIKey is OKVIXYCILFJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-5-3-1-2-4-6-10(7(11)12)8(13)14/h1-6,9H2,(H,11,12)(H,13,14).
What are the key properties of 6-aminohexyl(carboxy)carbamic acid?
6-aminohexyl(carboxy)carbamic acid has a molecular weight of 204.23 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl(carboxy)carbamic acid is sourced from PubChem (CID 175058839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).