2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid

C11H23N3O2 — CID 66172084

IUPAC2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
SMILESCC(NCCCN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-10(11(15)16)12-4-3-5-14-8-6-13(2)7-9-14/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLIBWCYDKSUOYEM-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.31
Rot. Bonds6

About 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid

2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid (PubChem CID 66172084) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
PubChem CID66172084
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
SMILESCC(NCCCN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-10(11(15)16)12-4-3-5-14-8-6-13(2)7-9-14/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLIBWCYDKSUOYEM-UHFFFAOYSA-N
XLogP-0.31
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284
2-bromo-3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61251741
tert-butyl N-[2-[3-(4-methylpiperazin-1-yl)propylamino]propyl]carbamate
CID 103387457
(2S)-2-(methylamino)-6-(4-methylpiperazin-1-yl)hexanoic acid
CID 167175161
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid (CID 66172084) is 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid is CC(NCCCN1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid?
The InChIKey is LIBWCYDKSUOYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(11(15)16)12-4-3-5-14-8-6-13(2)7-9-14/h10,12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid?
2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid is sourced from PubChem (CID 66172084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).