2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid

C11H17N3O5 — CID 118000415

IUPAC2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H17N3O5/c1-4-7(15)14-11(2,3)10(19)13-5-8(16)12-6-9(17)18/h4H,1,5-6H2,2-3H3,(H,12,16)(H,13,19)(H,14,15)(H,17,18)
InChIKeyCGSBQEYYHRWVQU-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.62
Rot. Bonds7

About 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid (PubChem CID 118000415) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid
PubChem CID118000415
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H17N3O5/c1-4-7(15)14-11(2,3)10(19)13-5-8(16)12-6-9(17)18/h4H,1,5-6H2,2-3H3,(H,12,16)(H,13,19)(H,14,15)(H,17,18)
InChIKeyCGSBQEYYHRWVQU-UHFFFAOYSA-N
XLogP-1.62
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

Antibiotic A 19009
CID 6439822
L-Ala-3-[[(E)-4-Amino-1,4-dioxo-2-butenyl]amino]-L-Ala-OH
CID 91799061
(2R)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic acid
CID 163016980
Methacryloylglycylglycine
CID 10241886
N-Acryloylglycylglycine
CID 20493959
(E)-L-N-(3-(3-Carbamoylacrylamido)alanyl)alanine
CID 6434201
2-[[2-[(2-Amino-2-methylpropanoyl)amino]acetyl]amino]acetic acid
CID 61265055
(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
2-Methylalanyl-2-methylalanyl-glycine
CID 129675200
N-acryloylglycylglycine monohydrate
CID 139073716
acryloyl-Ala-Ala-Ala-Ala-Gly-OH
CID 146165365
2-methyl-N-[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]ethyl]-2-(prop-2-enoylamino)propanamide
CID 20080696

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid (CID 118000415) is 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid is C=CC(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid?
The InChIKey is CGSBQEYYHRWVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-4-7(15)14-11(2,3)10(19)13-5-8(16)12-6-9(17)18/h4H,1,5-6H2,2-3H3,(H,12,16)(H,13,19)(H,14,15)(H,17,18).
What are the key properties of 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 271.27 g/mol, XLogP of -1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 118000415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).