2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid

C9H19N3O2 — CID 90742883

IUPAC2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
SMILESNC(CCCNC1CCNC1)C(=O)O
InChIInChI=1S/C9H19N3O2/c10-8(9(13)14)2-1-4-12-7-3-5-11-6-7/h7-8,11-12H,1-6,10H2,(H,13,14)
InChIKeyWRNBOWGXLPLWRT-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.87
Rot. Bonds6

About 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid

2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid (PubChem CID 90742883) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
PubChem CID90742883
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
SMILESNC(CCCNC1CCNC1)C(=O)O
InChIInChI=1S/C9H19N3O2/c10-8(9(13)14)2-1-4-12-7-3-5-11-6-7/h7-8,11-12H,1-6,10H2,(H,13,14)
InChIKeyWRNBOWGXLPLWRT-UHFFFAOYSA-N
XLogP-0.87
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(cyclopropylamino)hexanoic acid
CID 67330601
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
(2S)-2-amino-5-[(2-piperidin-3-ylacetyl)amino]pentanoic acid
CID 67328029
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
4-(piperidin-4-ylamino)butanoic acid
CID 61020779
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
(2S)-2-amino-5-[2-(cyclopropylcarbamoyl)hydrazinyl]pentanoic acid
CID 54548287
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid?
The IUPAC name of 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid (CID 90742883) is 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid?
The canonical SMILES for 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid is NC(CCCNC1CCNC1)C(=O)O.
What is the InChIKey of 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid?
The InChIKey is WRNBOWGXLPLWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-8(9(13)14)2-1-4-12-7-3-5-11-6-7/h7-8,11-12H,1-6,10H2,(H,13,14).
What are the key properties of 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid?
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid is sourced from PubChem (CID 90742883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).