2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid

C13H22N2O3 — CID 55107825

IUPAC2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)C2CC2)C(C)C1
InChIInChI=1S/C13H22N2O3/c1-8-5-6-15(9(2)7-8)13(18)14-11(12(16)17)10-3-4-10/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPKOUDVXGWTUDBH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds3

About 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 55107825) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID55107825
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)C2CC2)C(C)C1
InChIInChI=1S/C13H22N2O3/c1-8-5-6-15(9(2)7-8)13(18)14-11(12(16)17)10-3-4-10/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPKOUDVXGWTUDBH-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 62329877
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 62329876
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63304867
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289264
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
2-(2,4-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116537076
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid (CID 55107825) is 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid is CC1CCN(C(=O)NC(C(=O)O)C2CC2)C(C)C1.
What is the InChIKey of 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is PKOUDVXGWTUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-5-6-15(9(2)7-8)13(18)14-11(12(16)17)10-3-4-10/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 55107825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).