2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid

C14H27N3O2 — CID 55159526

IUPAC2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
SMILESCC(N)(CCCN1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C14H27N3O2/c1-14(15,13(18)19)6-4-7-16-10-5-12(11-16)17-8-2-3-9-17/h12H,2-11,15H2,1H3,(H,18,19)
InChIKeyJXEBHLVLEKVOPQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.74
Rot. Bonds6

About 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid

2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid (PubChem CID 55159526) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
PubChem CID55159526
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
SMILESCC(N)(CCCN1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C14H27N3O2/c1-14(15,13(18)19)6-4-7-16-10-5-12(11-16)17-8-2-3-9-17/h12H,2-11,15H2,1H3,(H,18,19)
InChIKeyJXEBHLVLEKVOPQ-UHFFFAOYSA-N
XLogP0.74
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylpentanoic acid
CID 79945932
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64820276
2-amino-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylhexanamide
CID 79934820
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-ethylpentanoic acid
CID 106806403
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
CID 63170970
2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
CID 102966380
2-amino-2-methyl-5-(4-propylpiperidin-1-yl)pentanoic acid
CID 62206652
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylbutanoic acid
CID 79936530

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid (CID 55159526) is 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid is CC(N)(CCCN1CCC(N2CCCC2)C1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is JXEBHLVLEKVOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(15,13(18)19)6-4-7-16-10-5-12(11-16)17-8-2-3-9-17/h12H,2-11,15H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 55159526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).