2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

C14H27N3O3 — CID 62775745

IUPAC2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCCC(C)N1CCN(C(=O)N(CC(=O)O)C(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-12(4)15-6-8-16(9-7-15)14(20)17(11(2)3)10-13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyUTAACXMUAIRVJF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.32
Rot. Bonds5

About 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 62775745) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID62775745
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCCC(C)N1CCN(C(=O)N(CC(=O)O)C(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-5-12(4)15-6-8-16(9-7-15)14(20)17(11(2)3)10-13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyUTAACXMUAIRVJF-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 61201269
2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
CID 62776812
2-[1,4-diazepane-1-carbonyl(propan-2-yl)amino]acetic acid
CID 61402822
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
CID 61443373
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
CID 114411684
(2R)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 80757592
(2S)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 55117131
2-[butan-2-yl-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]acetic acid
CID 107223921
3-(4-butan-2-ylpiperazin-1-yl)-2-methylbutanoic acid
CID 79407769
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 102961835

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (CID 62775745) is 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is CCC(C)N1CCN(C(=O)N(CC(=O)O)C(C)C)CC1.
What is the InChIKey of 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is UTAACXMUAIRVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-12(4)15-6-8-16(9-7-15)14(20)17(11(2)3)10-13(18)19/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 62775745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).