2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid

C13H24N2O3 — CID 55148404

IUPAC2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CNC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)8-15(9-13(17)18)12(16)7-14-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyVVEMWNKJZVRQKC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds7

About 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 55148404) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID55148404
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CNC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-10(2)8-15(9-13(17)18)12(16)7-14-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyVVEMWNKJZVRQKC-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(cyclopentylamino)-N-(2-methylpropyl)acetamide
CID 60962630
2-(cyclopentylamino)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 54870876
methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
CID 60947713
2-(cyclopentylamino)-N-(2-methylpropyl)-N-pentan-3-ylacetamide
CID 79490010
2-(cycloheptylamino)-N,N-diethylacetamide
CID 43236917
2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
CID 119193319
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
2-[[2-(cyclopentylamino)acetyl]-methylamino]propanoic acid
CID 62637271
2-(cyclohexylamino)-N,N-dipropylacetamide
CID 54816383
2-[cyclopentyl-[2-(cyclopropylamino)acetyl]amino]acetic acid
CID 61161688
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[(3-cyclopentyl-2-methylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 119192685

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid (CID 55148404) is 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CNC1CCCC1.
What is the InChIKey of 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is VVEMWNKJZVRQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)8-15(9-13(17)18)12(16)7-14-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 55148404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).