2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid

C9H16N2O4 — CID 115730705

IUPAC2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid
SMILESCCC(=O)NCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-7(12)10-5-8(13)11(4-2)6-9(14)15/h3-6H2,1-2H3,(H,10,12)(H,14,15)
InChIKeyNGCRTSAQFMRVHZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.55
Rot. Bonds6

About 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid

2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid (PubChem CID 115730705) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid
PubChem CID115730705
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid
SMILESCCC(=O)NCC(=O)N(CC)CC(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-7(12)10-5-8(13)11(4-2)6-9(14)15/h3-6H2,1-2H3,(H,10,12)(H,14,15)
InChIKeyNGCRTSAQFMRVHZ-UHFFFAOYSA-N
XLogP-0.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide
CID 112704350
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]propanamide
CID 110907242
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methoxyethyl)amino]acetic acid
CID 79269851
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[4-(cyclopropanecarbonylamino)butanoyl-ethylamino]acetic acid
CID 119206541
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
N-[2-[[2-(ethylamino)-2-oxoethyl]-[(propanoylamino)methyl]amino]-2-oxoethyl]pentanamide
CID 20671550
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid (CID 115730705) is 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid is CCC(=O)NCC(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid?
The InChIKey is NGCRTSAQFMRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-7(12)10-5-8(13)11(4-2)6-9(14)15/h3-6H2,1-2H3,(H,10,12)(H,14,15).
What are the key properties of 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid?
2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 115730705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).