2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid

C10H18N2O3 — CID 61162023

IUPAC2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CNC1CC1
InChIInChI=1S/C10H18N2O3/c1-7(2)12(6-10(14)15)9(13)5-11-8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyUHCTZAPFNUBVKJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds6

About 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 61162023) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
PubChem CID61162023
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CNC1CC1
InChIInChI=1S/C10H18N2O3/c1-7(2)12(6-10(14)15)9(13)5-11-8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyUHCTZAPFNUBVKJ-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
CID 54916597
2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 55148404
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[cyclopentyl-[2-(cyclopropylamino)acetyl]amino]acetic acid
CID 61161688
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
2-(cyclopropylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 54946285
N-[2-(butan-2-ylamino)-2-oxoethyl]-2-(cyclopropylamino)-N-[2-(cyclopropylamino)acetyl]acetamide
CID 22252017
2-[[2-[(2-acetamidoacetyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 119198762
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79278889
2-(cyclopropylamino)acetic acid
CID 21197388
2-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551708

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid (CID 61162023) is 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CNC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is UHCTZAPFNUBVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)12(6-10(14)15)9(13)5-11-8-3-4-8/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61162023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).