4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid

C15H27N3O3 — CID 60978691

IUPAC4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C15H27N3O3/c19-14(17-8-2-6-15(20)21)11-18-9-3-4-12(10-18)13-5-1-7-16-13/h12-13,16H,1-11H2,(H,17,19)(H,20,21)
InChIKeyYTNZXZRMDSTQNW-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.43
Rot. Bonds7

About 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid

4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 60978691) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
PubChem CID60978691
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CN1CCCC(C2CCCN2)C1
InChIInChI=1S/C15H27N3O3/c19-14(17-8-2-6-15(20)21)11-18-9-3-4-12(10-18)13-5-1-7-16-13/h12-13,16H,1-11H2,(H,17,19)(H,20,21)
InChIKeyYTNZXZRMDSTQNW-UHFFFAOYSA-N
XLogP0.43
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.43
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

4-[[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 63259654
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434
methyl 4-[[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetyl]amino]butanoate
CID 102682053
N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259352
N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 60978048
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetic acid
CID 102682014
N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886147
1-(2-methylidenebutyl)-3-pyrrolidin-2-ylpiperidine
CID 66046701
2-[4-(5-methylpiperidin-2-yl)piperidin-1-yl]acetic acid;methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetate;2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 170620680
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
6-[[2-[4,7,10-tris[2-(5-carboxypentylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoic acid
CID 122205584
N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259652

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid (CID 60978691) is 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)CN1CCCC(C2CCCN2)C1.
What is the InChIKey of 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is YTNZXZRMDSTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c19-14(17-8-2-6-15(20)21)11-18-9-3-4-12(10-18)13-5-1-7-16-13/h12-13,16H,1-11H2,(H,17,19)(H,20,21).
What are the key properties of 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid?
4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 297.40 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 60978691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).