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

C14H27N3O3 — CID 61189767

IUPAC4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCN1CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-15-8-10-16(11-9-15)14(20)17(12(2)3)7-5-6-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyHFWXLWRXTQVFCS-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.32
Rot. Bonds6

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

4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 61189767) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID61189767
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCN1CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-4-15-8-10-16(11-9-15)14(20)17(12(2)3)7-5-6-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyHFWXLWRXTQVFCS-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61188093
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
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
3-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911103
(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-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid
CID 61191959

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid (CID 61189767) is 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid is CCN1CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1.
What is the InChIKey of 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is HFWXLWRXTQVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-15-8-10-16(11-9-15)14(20)17(12(2)3)7-5-6-13(18)19/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61189767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).