(3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid

C9H17N3O4 — CID 139543969

IUPAC(3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid
SMILESN[C@@H](CO)C(=O)N1CCC[C@](N)(C(=O)O)C1
InChIInChI=1S/C9H17N3O4/c10-6(4-13)7(14)12-3-1-2-9(11,5-12)8(15)16/h6,13H,1-5,10-11H2,(H,15,16)/t6-,9+/m0/s1
InChIKeyHYXDMLSVECRYKN-IMTBSYHQSA-N
MW231.25 g/mol
LogP-2.29
Rot. Bonds3

About (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid

(3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid (PubChem CID 139543969) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid
PubChem CID139543969
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name(3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid
SMILESN[C@@H](CO)C(=O)N1CCC[C@](N)(C(=O)O)C1
InChIInChI=1S/C9H17N3O4/c10-6(4-13)7(14)12-3-1-2-9(11,5-12)8(15)16/h6,13H,1-5,10-11H2,(H,15,16)/t6-,9+/m0/s1
InChIKeyHYXDMLSVECRYKN-IMTBSYHQSA-N
XLogP-2.29
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

CID 148568500
CID 148568500
CID 148578100
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CID 132344115
CID 132344115
CID 61157721
CID 61157721
CID 11009347
CID 11009347
CID 13315050
CID 13315050
CID 22318426
CID 22318426
CID 90704051
CID 90704051
CID 91081568
CID 91081568
CID 93606447
CID 93606447
CID 139543920
CID 139543920
CID 139543921
CID 139543921

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid (CID 139543969) is (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid is N[C@@H](CO)C(=O)N1CCC[C@](N)(C(=O)O)C1.
What is the InChIKey of (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid?
The InChIKey is HYXDMLSVECRYKN-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H17N3O4/c10-6(4-13)7(14)12-3-1-2-9(11,5-12)8(15)16/h6,13H,1-5,10-11H2,(H,15,16)/t6-,9+/m0/s1.
What are the key properties of (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid?
(3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(2S)-2-amino-3-hydroxypropanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 139543969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).