methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate

C10H19N3O3 — CID 139543943

IUPACmethyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(N)CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C10H19N3O3/c1-7(11)8(14)13-5-3-4-10(12,6-13)9(15)16-2/h7H,3-6,11-12H2,1-2H3/t7-,10+/m0/s1
InChIKeyJJAROJCJLLBQGF-OIBJUYFYSA-N
MW229.28 g/mol
LogP-1.17
Rot. Bonds2

About methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate

methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate (PubChem CID 139543943) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate
PubChem CID139543943
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Namemethyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(N)CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C10H19N3O3/c1-7(11)8(14)13-5-3-4-10(12,6-13)9(15)16-2/h7H,3-6,11-12H2,1-2H3/t7-,10+/m0/s1
InChIKeyJJAROJCJLLBQGF-OIBJUYFYSA-N
XLogP-1.17
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,5R)-5-amino-1-[(2S)-2-aminopropanoyl]-5-methoxycarbonylpiperidin-3-yl]ethylboronic acid
CID 147665050
Ethyl 1-(2-aminoacetyl)piperidine-3-carboxylate hydrochloride
CID 44631043
1-(2-Aminopropanoyl)piperidine-3-carboxylic acid hydrochloride
CID 132344115
1-[2-(Cyclopropylamino)-2-keto-ethyl]nipecotic acid ethyl ester;oxalic acid
CID 653880
1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657
Ethyl 1-(1-carbamoylethyl)piperidine-3-carboxylate
CID 45794528
Ethyl 1-(2-aminoacetyl)piperidine-3-carboxylate
CID 17998938
1-(2-Aminopropanoyl)piperidine-3-carboxylic acid
CID 61157721
Ethyl 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3-carboxylate
CID 79796780
Methyl 5-oxo-4-pentyl-4,7-diazaspiro[2.5]octane-8-carboxylate
CID 10610966
3-(3-Isobutyl-2-oxo-piperazin-1-yl)-butyric acid methyl ester
CID 18682369
Methyl 3-(methylamino)piperidine-3-carboxylate
CID 21303788

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate (CID 139543943) is methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate is COC(=O)[C@@]1(N)CCCN(C(=O)[C@H](C)N)C1.
What is the InChIKey of methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate?
The InChIKey is JJAROJCJLLBQGF-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(11)8(14)13-5-3-4-10(12,6-13)9(15)16-2/h7H,3-6,11-12H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate?
methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-1-[(2S)-2-aminopropanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 139543943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).