2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid

C15H29N3O3 — CID 115428307

IUPAC2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESCC1CCCCN1CCCNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-12-7-4-5-9-18(12)10-6-8-16-14(21)17-11-15(2,3)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyYAEKTNBTWCKBIU-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.66
Rot. Bonds7

About 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid

2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid (PubChem CID 115428307) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
PubChem CID115428307
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESCC1CCCCN1CCCNC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-12-7-4-5-9-18(12)10-6-8-16-14(21)17-11-15(2,3)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyYAEKTNBTWCKBIU-UHFFFAOYSA-N
XLogP1.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
2,2-dimethyl-4-[3-(2-methylpiperidin-1-yl)propylamino]-4-oxobutanoic acid
CID 65297461
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 79629128
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid (CID 115428307) is 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid is CC1CCCCN1CCCNC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The InChIKey is YAEKTNBTWCKBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12-7-4-5-9-18(12)10-6-8-16-14(21)17-11-15(2,3)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid has a molecular weight of 299.41 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid is sourced from PubChem (CID 115428307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).