(Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid

C8H15N3O3 — CID 163494265

IUPAC(Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid
SMILESCO/C(=C(\N)C(=O)O)N1CC[C@@H](N)C1
InChIInChI=1S/C8H15N3O3/c1-14-7(6(10)8(12)13)11-3-2-5(9)4-11/h5H,2-4,9-10H2,1H3,(H,12,13)/b7-6-/t5-/m1/s1
InChIKeyCPIJYWHEWZZXML-MPLXJBJVSA-N
MW201.23 g/mol
LogP-1.12
Rot. Bonds3

About (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid

(Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid (PubChem CID 163494265) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid
PubChem CID163494265
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid
SMILESCO/C(=C(\N)C(=O)O)N1CC[C@@H](N)C1
InChIInChI=1S/C8H15N3O3/c1-14-7(6(10)8(12)13)11-3-2-5(9)4-11/h5H,2-4,9-10H2,1H3,(H,12,13)/b7-6-/t5-/m1/s1
InChIKeyCPIJYWHEWZZXML-MPLXJBJVSA-N
XLogP-1.12
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
methyl 3-[[(3S)-3-aminopyrrolidine-1-carbonyl]amino]propanoate
CID 165430524
fluoro 2-[(3R)-3-aminopyrrolidin-1-yl]-3-fluoroprop-2-enoate
CID 174810150
2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 62637046
ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
CID 62068517
[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
CID 146225835
[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 135240082
methyl 3-aminoazetidine-1-carboxylate
CID 18331259

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid?
The IUPAC name of (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid (CID 163494265) is (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid.
What is the SMILES notation for (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid?
The canonical SMILES for (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid is CO/C(=C(\N)C(=O)O)N1CC[C@@H](N)C1.
What is the InChIKey of (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid?
The InChIKey is CPIJYWHEWZZXML-MPLXJBJVSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-14-7(6(10)8(12)13)11-3-2-5(9)4-11/h5H,2-4,9-10H2,1H3,(H,12,13)/b7-6-/t5-/m1/s1.
What are the key properties of (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid?
(Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid has a molecular weight of 201.23 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[(3R)-3-aminopyrrolidin-1-yl]-3-methoxyprop-2-enoic acid is sourced from PubChem (CID 163494265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).