4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid

C13H25N3O3 — CID 61188093

IUPAC4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-11(2)16(6-4-5-12(17)18)13(19)15-9-7-14(3)8-10-15/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyNRSYLDTYGJHXEN-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.93
Rot. Bonds5

About 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid

4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 61188093) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID61188093
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-11(2)16(6-4-5-12(17)18)13(19)15-9-7-14(3)8-10-15/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyNRSYLDTYGJHXEN-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189767
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63162238
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63616366
4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189226
(3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 107228340
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 61409902
(3S,4S)-4-amino-1-[4-carboxybutyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278238
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid (CID 61188093) is 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)N1CCN(C)CC1.
What is the InChIKey of 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is NRSYLDTYGJHXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(2)16(6-4-5-12(17)18)13(19)15-9-7-14(3)8-10-15/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61188093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).