2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid

C10H19N3O3 — CID 62638618

IUPAC2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
SMILESCNC(C)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-8(11-2)10(16)13-5-3-12(4-6-13)7-9(14)15/h8,11H,3-7H2,1-2H3,(H,14,15)
InChIKeyGVTQWBBWJZHMAP-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.18
Rot. Bonds4

About 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid

2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid (PubChem CID 62638618) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
PubChem CID62638618
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
SMILESCNC(C)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19N3O3/c1-8(11-2)10(16)13-5-3-12(4-6-13)7-9(14)15/h8,11H,3-7H2,1-2H3,(H,14,15)
InChIKeyGVTQWBBWJZHMAP-UHFFFAOYSA-N
XLogP-1.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid
CID 43521431
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
2-[4-[(2S)-2-amino-3-methylpentanoyl]piperazin-1-yl]acetic acid
CID 61173409
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512
2-[4-(3-amino-2-methylpropanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825510
2-[4,7-bis(carboxymethyl)-10-(2-sulfanylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134517440
2-[4,7-bis(carboxymethyl)-10-(2-oxo-3-sulfanylbutyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167028279

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid (CID 62638618) is 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid is CNC(C)C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid?
The InChIKey is GVTQWBBWJZHMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-8(11-2)10(16)13-5-3-12(4-6-13)7-9(14)15/h8,11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid?
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 62638618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).