2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid

C13H25N3O3 — CID 64582704

IUPAC2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid
SMILESCCCN(CC(NC(C)=O)C(=O)O)C1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-3-8-16(11-4-6-14-7-5-11)9-12(13(18)19)15-10(2)17/h11-12,14H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVXUKNLKQPBSBEJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.04
Rot. Bonds7

About 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid

2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid (PubChem CID 64582704) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid
PubChem CID64582704
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid
SMILESCCCN(CC(NC(C)=O)C(=O)O)C1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-3-8-16(11-4-6-14-7-5-11)9-12(13(18)19)15-10(2)17/h11-12,14H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVXUKNLKQPBSBEJ-UHFFFAOYSA-N
XLogP0.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-[cyclopropyl(propyl)amino]propanoic acid
CID 64581319
3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid
CID 82778625
2-acetamido-3-[cyclohexyl(ethyl)amino]propanoic acid
CID 64581122
N-[2-[piperidin-4-yl(propyl)amino]ethyl]acetamide
CID 60807684
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
methyl 4-[piperidin-4-yl(propyl)amino]butanoate
CID 54923740
(2S)-3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61408174
3-methyl-2-[[piperidin-4-yl(propyl)carbamoyl]amino]butanoic acid
CID 61407942
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid (CID 64582704) is 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid is CCCN(CC(NC(C)=O)C(=O)O)C1CCNCC1.
What is the InChIKey of 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid?
The InChIKey is VXUKNLKQPBSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-8-16(11-4-6-14-7-5-11)9-12(13(18)19)15-10(2)17/h11-12,14H,3-9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid?
2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[piperidin-4-yl(propyl)amino]propanoic acid is sourced from PubChem (CID 64582704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).