10-(carboxyamino)decan-3-ylcarbamic acid

C12H24N2O4 — CID 175071012

IUPAC10-(carboxyamino)decan-3-ylcarbamic acid
SMILESCCC(CCCCCCCNC(=O)O)NC(=O)O
InChIInChI=1S/C12H24N2O4/c1-2-10(14-12(17)18)8-6-4-3-5-7-9-13-11(15)16/h10,13-14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyBXWDMRMHCNAUAB-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.64
Rot. Bonds10

About 10-(carboxyamino)decan-3-ylcarbamic acid

10-(carboxyamino)decan-3-ylcarbamic acid (PubChem CID 175071012) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 10-(carboxyamino)decan-3-ylcarbamic acid.

Molecular Properties

Compound Name10-(carboxyamino)decan-3-ylcarbamic acid
PubChem CID175071012
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name10-(carboxyamino)decan-3-ylcarbamic acid
SMILESCCC(CCCCCCCNC(=O)O)NC(=O)O
InChIInChI=1S/C12H24N2O4/c1-2-10(14-12(17)18)8-6-4-3-5-7-9-13-11(15)16/h10,13-14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyBXWDMRMHCNAUAB-UHFFFAOYSA-N
XLogP2.64
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.64
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

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CID 59001684
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CID 174971308
2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide
CID 160835672
[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
CID 135204157
6-(dimethylamino)hexan-3-ylcarbamic acid
CID 87759870
2,6-bis(carboxyamino)hexanoic acid
CID 23574348
[6-(carboxyamino)-1-[6-(dodecanoylamino)hexylamino]-1-oxohexan-2-yl]carbamic acid
CID 174242727
3-(sulfoamino)pentylcarbamic acid
CID 173365127
[1-(2-acetylhydrazinyl)-6-(carboxyamino)-1-oxohexan-2-yl]carbamic acid
CID 138586594
butylcarbamic acid
CID 3026651
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
CID 57250852
1-butyl-3-hexan-3-ylurea
CID 115596662

Frequently Asked Questions

What is the IUPAC name of 10-(carboxyamino)decan-3-ylcarbamic acid?
The IUPAC name of 10-(carboxyamino)decan-3-ylcarbamic acid (CID 175071012) is 10-(carboxyamino)decan-3-ylcarbamic acid.
What is the SMILES notation for 10-(carboxyamino)decan-3-ylcarbamic acid?
The canonical SMILES for 10-(carboxyamino)decan-3-ylcarbamic acid is CCC(CCCCCCCNC(=O)O)NC(=O)O.
What is the InChIKey of 10-(carboxyamino)decan-3-ylcarbamic acid?
The InChIKey is BXWDMRMHCNAUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-2-10(14-12(17)18)8-6-4-3-5-7-9-13-11(15)16/h10,13-14H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 10-(carboxyamino)decan-3-ylcarbamic acid?
10-(carboxyamino)decan-3-ylcarbamic acid has a molecular weight of 260.33 g/mol, XLogP of 2.64, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(carboxyamino)decan-3-ylcarbamic acid is sourced from PubChem (CID 175071012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).