2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid

C11H19N3O4 — CID 81171912

IUPAC2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
SMILESNCC1(CC(=O)NCC(=O)NCC(=O)O)CCC1
InChIInChI=1S/C11H19N3O4/c12-7-11(2-1-3-11)4-8(15)13-5-9(16)14-6-10(17)18/h1-7,12H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyDXVPINRSDYSLRS-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.18
Rot. Bonds7

About 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 81171912) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
PubChem CID81171912
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
SMILESNCC1(CC(=O)NCC(=O)NCC(=O)O)CCC1
InChIInChI=1S/C11H19N3O4/c12-7-11(2-1-3-11)4-8(15)13-5-9(16)14-6-10(17)18/h1-7,12H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyDXVPINRSDYSLRS-UHFFFAOYSA-N
XLogP-1.18
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[[2-(1-aminocyclobutyl)acetyl]amino]acetic acid
CID 79854186
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
CID 81168920
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid (CID 81171912) is 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid is NCC1(CC(=O)NCC(=O)NCC(=O)O)CCC1.
What is the InChIKey of 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is DXVPINRSDYSLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-7-11(2-1-3-11)4-8(15)13-5-9(16)14-6-10(17)18/h1-7,12H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -1.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 81171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).