2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid

C12H20N2O3 — CID 62626506

IUPAC2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CCC(=O)NC1CC1)CC1CC1
InChIInChI=1S/C12H20N2O3/c15-11(13-10-3-4-10)5-6-14(8-12(16)17)7-9-1-2-9/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyFESDLXJLPPGSPN-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds8

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

2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 62626506) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID62626506
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CCC(=O)NC1CC1)CC1CC1
InChIInChI=1S/C12H20N2O3/c15-11(13-10-3-4-10)5-6-14(8-12(16)17)7-9-1-2-9/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyFESDLXJLPPGSPN-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(cyclohexylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656450
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656726
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566526
N,N'-dicyclopropylbutanediamide
CID 5225156
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
3-[2-aminoethyl(ethyl)amino]-N-cyclopropylpropanamide
CID 62626817
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid (CID 62626506) is 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CCC(=O)NC1CC1)CC1CC1.
What is the InChIKey of 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is FESDLXJLPPGSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(13-10-3-4-10)5-6-14(8-12(16)17)7-9-1-2-9/h9-10H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-(cyclopropylamino)-3-oxopropyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 8 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]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 62626506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).