2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid

C14H25N3O4 — CID 103112547

IUPAC2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
SMILESCCN(C)C(=O)C(C)NC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-4-16(3)13(20)10(2)15-14(21)17-7-5-11(6-8-17)9-12(18)19/h10-11H,4-9H2,1-3H3,(H,15,21)(H,18,19)
InChIKeyFXIRVFXRNIWYHM-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.75
Rot. Bonds5

About 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid

2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 103112547) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
PubChem CID103112547
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
SMILESCCN(C)C(=O)C(C)NC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-4-16(3)13(20)10(2)15-14(21)17-7-5-11(6-8-17)9-12(18)19/h10-11H,4-9H2,1-3H3,(H,15,21)(H,18,19)
InChIKeyFXIRVFXRNIWYHM-UHFFFAOYSA-N
XLogP0.75
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608340
2-[1-(1-ethylsulfanylpropan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
CID 113499280
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]azepane-2-carboxylic acid
CID 103112488
N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
CID 124619861
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid (CID 103112547) is 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid is CCN(C)C(=O)C(C)NC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is FXIRVFXRNIWYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-16(3)13(20)10(2)15-14(21)17-7-5-11(6-8-17)9-12(18)19/h10-11H,4-9H2,1-3H3,(H,15,21)(H,18,19).
What are the key properties of 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 103112547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).