2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid

C13H23NO3 — CID 120580887

IUPAC2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC1CCC(CC(=O)N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C13H23NO3/c1-9(2)14(8-13(16)17)12(15)7-11-5-4-10(3)6-11/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyBGJHYMOUZKAKIW-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds5

About 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 120580887) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid
PubChem CID120580887
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC1CCC(CC(=O)N(CC(=O)O)C(C)C)C1
InChIInChI=1S/C13H23NO3/c1-9(2)14(8-13(16)17)12(15)7-11-5-4-10(3)6-11/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyBGJHYMOUZKAKIW-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-[(4-methylcyclohexyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 55174095
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 55257505

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid (CID 120580887) is 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid is CC1CCC(CC(=O)N(CC(=O)O)C(C)C)C1.
What is the InChIKey of 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is BGJHYMOUZKAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)14(8-13(16)17)12(15)7-11-5-4-10(3)6-11/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120580887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).