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

C12H20N2O3 — CID 62697752

IUPAC2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C12H20N2O3/c1-8-4-6-14(7-5-8)12(17)13-10(11(15)16)9-2-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyDIUZUSVXUSJDEZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds3

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

2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 62697752) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID62697752
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C12H20N2O3/c1-8-4-6-14(7-5-8)12(17)13-10(11(15)16)9-2-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyDIUZUSVXUSJDEZ-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
N-(dicyclopropylmethyl)-4-methylpiperidine-1-carboxamide
CID 113224116
2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 62710695
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 63980178
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55107825
2-cyclopropyl-2-[(4-methylsulfanylazepane-1-carbonyl)amino]acetic acid
CID 114237984
2-cyclohexyl-2-[(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190973
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378
2-cyclopropyl-2-[(2-methylmorpholine-4-carbonyl)amino]acetic acid
CID 62695647

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid (CID 62697752) is 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid is CC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is DIUZUSVXUSJDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-4-6-14(7-5-8)12(17)13-10(11(15)16)9-2-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 62697752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).