2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid

C10H18N2O3 — CID 62627778

IUPAC2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
SMILESCCN(CCC(=O)NC1CC1)CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-12(7-10(14)15)6-5-9(13)11-8-3-4-8/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyDEANGIZKNUMZQB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds7

About 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid

2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid (PubChem CID 62627778) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
PubChem CID62627778
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
SMILESCCN(CCC(=O)NC1CC1)CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-12(7-10(14)15)6-5-9(13)11-8-3-4-8/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyDEANGIZKNUMZQB-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 62626506
3-[2-aminoethyl(ethyl)amino]-N-cyclopropylpropanamide
CID 62626817
3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
CID 62852222
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
CID 62026563
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656450
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
2-[2-aminoethyl(ethyl)amino]-N-cyclopropylacetamide
CID 61349324
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
N-cyclohexyl-3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 78964192
N-cyclopropyl-3-[2-(diethylamino)ethylamino]propanamide
CID 62627556
2-[[3-(carbamoylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 61011603

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid (CID 62627778) is 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid is CCN(CCC(=O)NC1CC1)CC(=O)O.
What is the InChIKey of 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid?
The InChIKey is DEANGIZKNUMZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-12(7-10(14)15)6-5-9(13)11-8-3-4-8/h8H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid?
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid is sourced from PubChem (CID 62627778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).