3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid

C9H18N2O3 — CID 62836532

IUPAC3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
SMILESCCNCCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-10-5-4-8(12)11-6-7(2)9(13)14/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySXDPOAXYCGCTQD-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.18
Rot. Bonds7

About 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid

3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid (PubChem CID 62836532) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
PubChem CID62836532
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
SMILESCCNCCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-10-5-4-8(12)11-6-7(2)9(13)14/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeySXDPOAXYCGCTQD-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
(2S)-3-[3-(ethylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107835994
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
3-(2-carboxyethylamino)-2-methylpropanoic acid
CID 154090510
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid (CID 62836532) is 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid is CCNCCC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid?
The InChIKey is SXDPOAXYCGCTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-10-5-4-8(12)11-6-7(2)9(13)14/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid?
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62836532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).