2-(prop-2-enylamino)acetic acid;pyrimidine

C9H13N3O2 — CID 67804683

IUPAC2-(prop-2-enylamino)acetic acid;pyrimidine
SMILESC=CCNCC(=O)O.c1cncnc1
InChIInChI=1S/C5H9NO2.C4H4N2/c1-2-3-6-4-5(7)8;1-2-5-4-6-3-1/h2,6H,1,3-4H2,(H,7,8);1-4H
InChIKeyLCDMOSKKCVCMBK-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.32
Rot. Bonds4

About 2-(prop-2-enylamino)acetic acid;pyrimidine

2-(prop-2-enylamino)acetic acid;pyrimidine (PubChem CID 67804683) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(prop-2-enylamino)acetic acid;pyrimidine.

Molecular Properties

Compound Name2-(prop-2-enylamino)acetic acid;pyrimidine
PubChem CID67804683
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(prop-2-enylamino)acetic acid;pyrimidine
SMILESC=CCNCC(=O)O.c1cncnc1
InChIInChI=1S/C5H9NO2.C4H4N2/c1-2-3-6-4-5(7)8;1-2-5-4-6-3-1/h2,6H,1,3-4H2,(H,7,8);1-4H
InChIKeyLCDMOSKKCVCMBK-UHFFFAOYSA-N
XLogP0.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethenol;pyrimidine
CID 174498659
2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79279874
3-(prop-2-enylamino)prop-1-en-2-ol;hydrochloride
CID 173396788
N-methyl-2-(prop-2-enylamino)-N-pyridin-4-ylacetamide
CID 106934945
1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one
CID 116589890
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone
CID 116589674
N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79285110
N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79278864
2-(carboxymethylamino)acetic acid
CID 8897
butanedioic acid;2-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 3078512
methanesulfonic acid;pyrimidine
CID 19894525

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)acetic acid;pyrimidine?
The IUPAC name of 2-(prop-2-enylamino)acetic acid;pyrimidine (CID 67804683) is 2-(prop-2-enylamino)acetic acid;pyrimidine.
What is the SMILES notation for 2-(prop-2-enylamino)acetic acid;pyrimidine?
The canonical SMILES for 2-(prop-2-enylamino)acetic acid;pyrimidine is C=CCNCC(=O)O.c1cncnc1.
What is the InChIKey of 2-(prop-2-enylamino)acetic acid;pyrimidine?
The InChIKey is LCDMOSKKCVCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H4N2/c1-2-3-6-4-5(7)8;1-2-5-4-6-3-1/h2,6H,1,3-4H2,(H,7,8);1-4H.
What are the key properties of 2-(prop-2-enylamino)acetic acid;pyrimidine?
2-(prop-2-enylamino)acetic acid;pyrimidine has a molecular weight of 195.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)acetic acid;pyrimidine is sourced from PubChem (CID 67804683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).