4-aminopentanoic acid;ethane

C7H17NO2 — CID 143436801

IUPAC4-aminopentanoic acid;ethane
SMILESCC.CC(N)CCC(=O)O
InChIInChI=1S/C5H11NO2.C2H6/c1-4(6)2-3-5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H3
InChIKeyUOPKYGGZUYOTJQ-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.22
Rot. Bonds3

About 4-aminopentanoic acid;ethane

4-aminopentanoic acid;ethane (PubChem CID 143436801) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-aminopentanoic acid;ethane.

Molecular Properties

Compound Name4-aminopentanoic acid;ethane
PubChem CID143436801
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-aminopentanoic acid;ethane
SMILESCC.CC(N)CCC(=O)O
InChIInChI=1S/C5H11NO2.C2H6/c1-4(6)2-3-5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H3
InChIKeyUOPKYGGZUYOTJQ-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-aminoheptanoic acid
CID 54134193
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
magnesium;hydride;4-methylpentanoic acid
CID 174689724
bis(hexan-2-amine);hexanedioic acid
CID 174667104
4-amino-5-fluorohexanoic acid
CID 78098113
4-amino-6,6,7-trimethyl-5-oxooctanoic acid
CID 129034412
calcium;hydride;2-methylpentanedioic acid
CID 173414295
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048

Frequently Asked Questions

What is the IUPAC name of 4-aminopentanoic acid;ethane?
The IUPAC name of 4-aminopentanoic acid;ethane (CID 143436801) is 4-aminopentanoic acid;ethane.
What is the SMILES notation for 4-aminopentanoic acid;ethane?
The canonical SMILES for 4-aminopentanoic acid;ethane is CC.CC(N)CCC(=O)O.
What is the InChIKey of 4-aminopentanoic acid;ethane?
The InChIKey is UOPKYGGZUYOTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C2H6/c1-4(6)2-3-5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H3.
What are the key properties of 4-aminopentanoic acid;ethane?
4-aminopentanoic acid;ethane has a molecular weight of 147.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentanoic acid;ethane is sourced from PubChem (CID 143436801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).