2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid

C15H28N2O3 — CID 61010725

IUPAC2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
SMILESCCCC(C)NC(=O)C(C)N1CCCCC1CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-11(2)16-15(20)12(3)17-9-6-5-8-13(17)10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyKFPNKWVLIBDDRN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds7

About 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid

2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid (PubChem CID 61010725) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
PubChem CID61010725
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
SMILESCCCC(C)NC(=O)C(C)N1CCCCC1CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-7-11(2)16-15(20)12(3)17-9-6-5-8-13(17)10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyKFPNKWVLIBDDRN-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
CID 61370335
2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
CID 54899679
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 55243368
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid (CID 61010725) is 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid is CCCC(C)NC(=O)C(C)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid?
The InChIKey is KFPNKWVLIBDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-11(2)16-15(20)12(3)17-9-6-5-8-13(17)10-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid?
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).