2-aminopentanoic acid;pentanoic acid

C10H21NO4 — CID 158644900

IUPAC2-aminopentanoic acid;pentanoic acid
SMILESCCCC(N)C(=O)O.CCCCC(=O)O
InChIInChI=1S/C5H11NO2.C5H10O2/c1-2-3-4(6)5(7)8;1-2-3-4-5(6)7/h4H,2-3,6H2,1H3,(H,7,8);2-4H2,1H3,(H,6,7)
InChIKeyIAVNZSMBAPGRPL-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.46
Rot. Bonds6

About 2-aminopentanoic acid;pentanoic acid

2-aminopentanoic acid;pentanoic acid (PubChem CID 158644900) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-aminopentanoic acid;pentanoic acid.

Molecular Properties

Compound Name2-aminopentanoic acid;pentanoic acid
PubChem CID158644900
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-aminopentanoic acid;pentanoic acid
SMILESCCCC(N)C(=O)O.CCCCC(=O)O
InChIInChI=1S/C5H11NO2.C5H10O2/c1-2-3-4(6)5(7)8;1-2-3-4-5(6)7/h4H,2-3,6H2,1H3,(H,7,8);2-4H2,1H3,(H,6,7)
InChIKeyIAVNZSMBAPGRPL-UHFFFAOYSA-N
XLogP1.46
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
4-aminobutanoic acid;(2S)-2-aminopentanoic acid
CID 18598089
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-aminopentanedioic acid;dodecanoic acid
CID 175003829
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
decanoic acid;(2S)-2,6-diaminohexanoic acid
CID 87982832
2-aminohexanoic acid;2-aminopentanoic acid;2-(butylamino)acetic acid
CID 174666558
2-aminotetracosanoic acid
CID 88730229
disodium;2-aminohexanedioic acid;hydride
CID 174674537
(2S)-2-aminododecanoic acid
CID 10560640

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanoic acid;pentanoic acid?
The IUPAC name of 2-aminopentanoic acid;pentanoic acid (CID 158644900) is 2-aminopentanoic acid;pentanoic acid.
What is the SMILES notation for 2-aminopentanoic acid;pentanoic acid?
The canonical SMILES for 2-aminopentanoic acid;pentanoic acid is CCCC(N)C(=O)O.CCCCC(=O)O.
What is the InChIKey of 2-aminopentanoic acid;pentanoic acid?
The InChIKey is IAVNZSMBAPGRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H10O2/c1-2-3-4(6)5(7)8;1-2-3-4-5(6)7/h4H,2-3,6H2,1H3,(H,7,8);2-4H2,1H3,(H,6,7).
What are the key properties of 2-aminopentanoic acid;pentanoic acid?
2-aminopentanoic acid;pentanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanoic acid;pentanoic acid is sourced from PubChem (CID 158644900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).