2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid

C11H15N3O2 — CID 96555431

IUPAC2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid
SMILESC[C@@H](c1cnccn1)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H15N3O2/c1-8(10-6-12-4-5-13-10)14(7-11(15)16)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyFWNSOHYLRDWJGN-QMMMGPOBSA-N
MW221.26 g/mol
LogP1.09
Rot. Bonds5

About 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid

2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid (PubChem CID 96555431) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid
PubChem CID96555431
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid
SMILESC[C@@H](c1cnccn1)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H15N3O2/c1-8(10-6-12-4-5-13-10)14(7-11(15)16)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyFWNSOHYLRDWJGN-QMMMGPOBSA-N
XLogP1.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(1-pyrazin-2-ylethyl)amino]acetic acid
CID 65059154
2-[cyclopropyl-[(1R)-1-pyrazin-2-ylethyl]amino]ethanol
CID 96555165
2-[prop-2-ynyl(1-pyrazin-2-ylethyl)amino]acetic acid
CID 79284579
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66247498
4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252141
2-[1-[methyl(1-pyrazin-2-ylethyl)amino]cyclohexyl]acetic acid
CID 65241026
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
CID 65058019
2-amino-N-methyl-N-[(1R)-1-pyrazin-2-ylethyl]acetamide
CID 96555406
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-4-amine
CID 86329861
2-[1-(2-bromophenyl)ethyl-cyclopropylamino]acetic acid
CID 65057476
2-[methyl(1-pyrazin-2-ylethyl)amino]acetaldehyde
CID 87598831

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid (CID 96555431) is 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid is C[C@@H](c1cnccn1)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid?
The InChIKey is FWNSOHYLRDWJGN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(10-6-12-4-5-13-10)14(7-11(15)16)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid?
2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1S)-1-pyrazin-2-ylethyl]amino]acetic acid is sourced from PubChem (CID 96555431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).