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

C16H30N2O3 — CID 63162238

IUPAC4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCC1(C)CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-16(4)8-11-17(12-9-16)15(21)18(13(2)3)10-6-7-14(19)20/h13H,5-12H2,1-4H3,(H,19,20)
InChIKeyKENAXZXLBVHIIF-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.19
Rot. Bonds6

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

4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 63162238) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID63162238
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCCC1(C)CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-5-16(4)8-11-17(12-9-16)15(21)18(13(2)3)10-6-7-14(19)20/h13H,5-12H2,1-4H3,(H,19,20)
InChIKeyKENAXZXLBVHIIF-UHFFFAOYSA-N
XLogP3.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189767
4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61188093
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63616366
4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114108798
(3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498360
4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189226
N,4-diethyl-N,4-dimethylpiperidine-1-carboxamide
CID 116655856
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid (CID 63162238) is 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid is CCC1(C)CCN(C(=O)N(CCCC(=O)O)C(C)C)CC1.
What is the InChIKey of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is KENAXZXLBVHIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-16(4)8-11-17(12-9-16)15(21)18(13(2)3)10-6-7-14(19)20/h13H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 63162238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).