4-pyrrolidin-1-ylbutanoic acid

C8H15NO2 — CID 14855681

IUPAC4-pyrrolidin-1-ylbutanoic acid
SMILESO=C(O)CCCN1CCCC1
InChIInChI=1S/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11)
InChIKeyNYSUFKYXLDNHQN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds4

About 4-pyrrolidin-1-ylbutanoic acid

4-pyrrolidin-1-ylbutanoic acid (PubChem CID 14855681) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbutanoic acid
PubChem CID14855681
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-pyrrolidin-1-ylbutanoic acid
SMILESO=C(O)CCCN1CCCC1
InChIInChI=1S/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11)
InChIKeyNYSUFKYXLDNHQN-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
4-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 303583
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
1-(3-Carboxypropyl)-1-Methylpyrrolidin-1-Ium
CID 21578870
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
4-(Pyrrolidin-1-yl)butanoic acid hydrochloride
CID 14855682
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid chloride
CID 90655224
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 4-pyrrolidin-1-ylbutanoic acid (CID 14855681) is 4-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 4-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 4-pyrrolidin-1-ylbutanoic acid is O=C(O)CCCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylbutanoic acid?
The InChIKey is NYSUFKYXLDNHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11).
What are the key properties of 4-pyrrolidin-1-ylbutanoic acid?
4-pyrrolidin-1-ylbutanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 14855681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).