2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid

C11H22N2O3 — CID 115867094

IUPAC2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C)CCCN
InChIInChI=1S/C11H22N2O3/c1-3-7-13(8-10(14)15)11(16)9(2)5-4-6-12/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyCZHXLIKCXBKNBS-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.68
Rot. Bonds8

About 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid

2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid (PubChem CID 115867094) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid
PubChem CID115867094
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C(C)CCCN
InChIInChI=1S/C11H22N2O3/c1-3-7-13(8-10(14)15)11(16)9(2)5-4-6-12/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyCZHXLIKCXBKNBS-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
2-[[2-(carbamoylamino)-4-methylpentanoyl]-propylamino]acetic acid
CID 61013419
2-[2-fluorohexanoyl(propyl)amino]acetic acid
CID 101279700
4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
5-amino-N-ethyl-N-(2-ethylbutyl)-2-methylpentanamide
CID 113440847
5-amino-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)pentanamide
CID 104684451
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
2-[2-fluorooctanoyl(propyl)amino]acetic acid
CID 101279774
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide
CID 114282132
5-amino-N-butan-2-yl-N-ethyl-2-methylpentanamide
CID 104683623
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid?
The IUPAC name of 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid (CID 115867094) is 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C(C)CCCN.
What is the InChIKey of 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid?
The InChIKey is CZHXLIKCXBKNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-7-13(8-10(14)15)11(16)9(2)5-4-6-12/h9H,3-8,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid?
2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid is sourced from PubChem (CID 115867094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).