2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid

C9H18N2O3 — CID 66171677

IUPAC2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
SMILESCC(C)C(=O)NCCNC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)8(12)11-5-4-10-7(3)9(13)14/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyJBMXZXUKPQETBN-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.18
Rot. Bonds6

About 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid

2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid (PubChem CID 66171677) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
PubChem CID66171677
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
SMILESCC(C)C(=O)NCCNC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)8(12)11-5-4-10-7(3)9(13)14/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyJBMXZXUKPQETBN-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(pentylamino)propanoic acid
CID 43467235
N-(aminomethyl)-2-methylpropanamide
CID 88582106
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid
CID 104863677
N-[2-(hexan-3-ylamino)ethyl]-2-methylpropanamide
CID 115905349
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid?
The IUPAC name of 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid (CID 66171677) is 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid.
What is the SMILES notation for 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid?
The canonical SMILES for 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid is CC(C)C(=O)NCCNC(C)C(=O)O.
What is the InChIKey of 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid?
The InChIKey is JBMXZXUKPQETBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)8(12)11-5-4-10-7(3)9(13)14/h6-7,10H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid?
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid is sourced from PubChem (CID 66171677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).