2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid

C11H23N3O5 — CID 22099142

IUPAC2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
SMILESNCC(O)CCC(N)C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C6H14N2O3.C5H9NO2/c7-3-4(9)1-2-5(8)6(10)11;7-5(8)4-2-1-3-6-4/h4-5,9H,1-3,7-8H2,(H,10,11);4,6H,1-3H2,(H,7,8)
InChIKeyKBHMHMREYZMUMM-UHFFFAOYSA-N
MW277.32 g/mol
LogP-1.68
Rot. Bonds6

About 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid

2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid (PubChem CID 22099142) has the molecular formula C11H23N3O5 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
PubChem CID22099142
Molecular FormulaC11H23N3O5
Molecular Weight277.32 g/mol
Exact Mass277.16
IUPAC Name2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
SMILESNCC(O)CCC(N)C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C6H14N2O3.C5H9NO2/c7-3-4(9)1-2-5(8)6(10)11;7-5(8)4-2-1-3-6-4/h4-5,9H,1-3,7-8H2,(H,10,11);4,6H,1-3H2,(H,7,8)
InChIKeyKBHMHMREYZMUMM-UHFFFAOYSA-N
XLogP-1.68
TPSA158.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2,6-diaminohexanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 161069597
2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904
bis(2-aminoacetic acid);(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 67117699
(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 141203055
(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20598904
(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20751279
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-pyrrolidine-2-carboxylic acid
CID 118395312
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174461355
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid?
The IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid (CID 22099142) is 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid is NCC(O)CCC(N)C(=O)O.O=C(O)C1CCCN1.
What is the InChIKey of 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid?
The InChIKey is KBHMHMREYZMUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.C5H9NO2/c7-3-4(9)1-2-5(8)6(10)11;7-5(8)4-2-1-3-6-4/h4-5,9H,1-3,7-8H2,(H,10,11);4,6H,1-3H2,(H,7,8).
What are the key properties of 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid?
2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of -1.68, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22099142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).