2-(heptylcarbamoylamino)acetic acid

C10H20N2O3 — CID 43129060

IUPAC2-(heptylcarbamoylamino)acetic acid
SMILESCCCCCCCNC(=O)NCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-6-7-11-10(15)12-8-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyXCUOWTPJVRHSIO-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds8

About 2-(heptylcarbamoylamino)acetic acid

2-(heptylcarbamoylamino)acetic acid (PubChem CID 43129060) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(heptylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(heptylcarbamoylamino)acetic acid
PubChem CID43129060
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(heptylcarbamoylamino)acetic acid
SMILESCCCCCCCNC(=O)NCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-6-7-11-10(15)12-8-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyXCUOWTPJVRHSIO-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-octylurea
CID 17269600
1-propyl-3-tridecylurea
CID 10934987
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
2-[[(2S)-2-(dodecylcarbamoylamino)propanoyl]amino]acetic acid
CID 25058027
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
1-octadec-9-enyl-3-propylurea
CID 85374995

Frequently Asked Questions

What is the IUPAC name of 2-(heptylcarbamoylamino)acetic acid?
The IUPAC name of 2-(heptylcarbamoylamino)acetic acid (CID 43129060) is 2-(heptylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(heptylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(heptylcarbamoylamino)acetic acid is CCCCCCCNC(=O)NCC(=O)O.
What is the InChIKey of 2-(heptylcarbamoylamino)acetic acid?
The InChIKey is XCUOWTPJVRHSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-4-5-6-7-11-10(15)12-8-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(heptylcarbamoylamino)acetic acid?
2-(heptylcarbamoylamino)acetic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptylcarbamoylamino)acetic acid is sourced from PubChem (CID 43129060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).