2-[3-[butyl(formyl)amino]propylamino]acetic acid

C10H20N2O3 — CID 142456634

IUPAC2-[3-[butyl(formyl)amino]propylamino]acetic acid
SMILESCCCCN(C=O)CCCNCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-6-12(9-13)7-4-5-11-8-10(14)15/h9,11H,2-8H2,1H3,(H,14,15)
InChIKeyGLPHJCRCVQBUID-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.31
Rot. Bonds10

About 2-[3-[butyl(formyl)amino]propylamino]acetic acid

2-[3-[butyl(formyl)amino]propylamino]acetic acid (PubChem CID 142456634) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-[butyl(formyl)amino]propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[butyl(formyl)amino]propylamino]acetic acid
PubChem CID142456634
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[3-[butyl(formyl)amino]propylamino]acetic acid
SMILESCCCCN(C=O)CCCNCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-6-12(9-13)7-4-5-11-8-10(14)15/h9,11H,2-8H2,1H3,(H,14,15)
InChIKeyGLPHJCRCVQBUID-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid
CID 174675948
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
N-butyl-N-[2-(methylamino)ethyl]formamide
CID 23084470
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
N-butyl-N-octadecylformamide
CID 54030417
4-[formyl-[2-(methylamino)ethyl]amino]butanoic acid
CID 121478834
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
disodium;N-dodecyl-N-[2-(dodecylamino)ethyl]formamide;diacetate
CID 175796205
2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid
CID 175230910
2-(octadeca-9,12-dienylamino)acetic acid
CID 54420712

Frequently Asked Questions

What is the IUPAC name of 2-[3-[butyl(formyl)amino]propylamino]acetic acid?
The IUPAC name of 2-[3-[butyl(formyl)amino]propylamino]acetic acid (CID 142456634) is 2-[3-[butyl(formyl)amino]propylamino]acetic acid.
What is the SMILES notation for 2-[3-[butyl(formyl)amino]propylamino]acetic acid?
The canonical SMILES for 2-[3-[butyl(formyl)amino]propylamino]acetic acid is CCCCN(C=O)CCCNCC(=O)O.
What is the InChIKey of 2-[3-[butyl(formyl)amino]propylamino]acetic acid?
The InChIKey is GLPHJCRCVQBUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-6-12(9-13)7-4-5-11-8-10(14)15/h9,11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[3-[butyl(formyl)amino]propylamino]acetic acid?
2-[3-[butyl(formyl)amino]propylamino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[butyl(formyl)amino]propylamino]acetic acid is sourced from PubChem (CID 142456634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).