2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

C11H19N3O4 — CID 62696946

IUPAC2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(=O)NCCNC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4/c1-7(15)12-4-5-13-9(16)6-14-10(11(17)18)8-2-3-8/h8,10,14H,2-6H2,1H3,(H,12,15)(H,13,16)(H,17,18)
InChIKeyWDABOMPYFLMAPG-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.31
Rot. Bonds8

About 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62696946) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62696946
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESCC(=O)NCCNC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4/c1-7(15)12-4-5-13-9(16)6-14-10(11(17)18)8-2-3-8/h8,10,14H,2-6H2,1H3,(H,12,15)(H,13,16)(H,17,18)
InChIKeyWDABOMPYFLMAPG-UHFFFAOYSA-N
XLogP-1.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696981
2-cyclopropyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 55107911
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 62696389
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
CID 62695608
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62696946) is 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is CC(=O)NCCNC(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is WDABOMPYFLMAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(15)12-4-5-13-9(16)6-14-10(11(17)18)8-2-3-8/h8,10,14H,2-6H2,1H3,(H,12,15)(H,13,16)(H,17,18).
What are the key properties of 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 257.29 g/mol, XLogP of -1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).