2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid

C16H30N2O2 — CID 59033038

IUPAC2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid
SMILESCC1CCN(C[C@H]2CC(N(C)CC(=O)O)C[C@@H]2C)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-6-18(7-5-12)10-14-9-15(8-13(14)2)17(3)11-16(19)20/h12-15H,4-11H2,1-3H3,(H,19,20)/t13-,14+,15?/m0/s1
InChIKeyRWSWTCWCQQOXOJ-SNTRVMSOSA-N
MW282.43 g/mol
LogP2.15
Rot. Bonds5

About 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid

2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid (PubChem CID 59033038) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid
PubChem CID59033038
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid
SMILESCC1CCN(C[C@H]2CC(N(C)CC(=O)O)C[C@@H]2C)CC1
InChIInChI=1S/C16H30N2O2/c1-12-4-6-18(7-5-12)10-14-9-15(8-13(14)2)17(3)11-16(19)20/h12-15H,4-11H2,1-3H3,(H,19,20)/t13-,14+,15?/m0/s1
InChIKeyRWSWTCWCQQOXOJ-SNTRVMSOSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid (CID 59033038) is 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid is CC1CCN(C[C@H]2CC(N(C)CC(=O)O)C[C@@H]2C)CC1.
What is the InChIKey of 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid?
The InChIKey is RWSWTCWCQQOXOJ-SNTRVMSOSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-4-6-18(7-5-12)10-14-9-15(8-13(14)2)17(3)11-16(19)20/h12-15H,4-11H2,1-3H3,(H,19,20)/t13-,14+,15?/m0/s1.
What are the key properties of 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid?
2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3S,4S)-3-methyl-4-[(4-methylpiperidin-1-yl)methyl]cyclopentyl]amino]acetic acid is sourced from PubChem (CID 59033038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).