4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid

C14H27N3O3 — CID 64894440

IUPAC4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
SMILESCC1CCCCN1CCCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-11-5-2-3-9-17(11)10-4-8-16-14(20)12(15)6-7-13(18)19/h11-12H,2-10,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyCNMNWIVUKWGPCE-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.56
Rot. Bonds8

About 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid

4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid (PubChem CID 64894440) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
PubChem CID64894440
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
SMILESCC1CCCCN1CCCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-11-5-2-3-9-17(11)10-4-8-16-14(20)12(15)6-7-13(18)19/h11-12H,2-10,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyCNMNWIVUKWGPCE-UHFFFAOYSA-N
XLogP0.56
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid (CID 64894440) is 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid is CC1CCCCN1CCCNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid?
The InChIKey is CNMNWIVUKWGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11-5-2-3-9-17(11)10-4-8-16-14(20)12(15)6-7-13(18)19/h11-12H,2-10,15H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid?
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64894440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).