5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

C14H25N3O4 — CID 62934911

IUPAC5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,8-13(20)21)7-12(19)16-10-3-5-17(6-4-10)9-11(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,16,19)(H,20,21)
InChIKeyRNHKLAOFLPQXRA-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.06
Rot. Bonds7

About 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934911) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934911
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,8-13(20)21)7-12(19)16-10-3-5-17(6-4-10)9-11(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,16,19)(H,20,21)
InChIKeyRNHKLAOFLPQXRA-UHFFFAOYSA-N
XLogP-0.06
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid with MolForge

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Related Compounds

5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935081
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(tert-butylamino)acetamide
CID 49487861
5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933875
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 63680196
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclopropylmethylamino)acetamide
CID 60868376
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]prop-2-enamide
CID 43700635
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55209645
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602740
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62934911) is 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is RNHKLAOFLPQXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,8-13(20)21)7-12(19)16-10-3-5-17(6-4-10)9-11(15)18/h10H,3-9H2,1-2H3,(H2,15,18)(H,16,19)(H,20,21).
What are the key properties of 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).