2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid

C12H24N2O2 — CID 106631912

IUPAC2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CC1CCCCN1)C(C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-9(2)14(10(3)12(15)16)8-11-6-4-5-7-13-11/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyLHSHJSNOVWYJRF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds5

About 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid

2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid (PubChem CID 106631912) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
PubChem CID106631912
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CC1CCCCN1)C(C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-9(2)14(10(3)12(15)16)8-11-6-4-5-7-13-11/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyLHSHJSNOVWYJRF-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106632109
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462
2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
CID 106632123
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614794
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid (CID 106631912) is 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid is CC(C)N(CC1CCCCN1)C(C)C(=O)O.
What is the InChIKey of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
The InChIKey is LHSHJSNOVWYJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14(10(3)12(15)16)8-11-6-4-5-7-13-11/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 106631912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).