2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid

C10H18N2O3 — CID 62696018

IUPAC2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
SMILESCC(C)NCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-6(2)11-5-8(13)12-9(10(14)15)7-3-4-7/h6-7,9,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYFHXMLFYBMIONA-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.04
Rot. Bonds6

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

2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid (PubChem CID 62696018) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
PubChem CID62696018
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
SMILESCC(C)NCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-6(2)11-5-8(13)12-9(10(14)15)7-3-4-7/h6-7,9,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYFHXMLFYBMIONA-UHFFFAOYSA-N
XLogP-0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
CID 81079237
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695427
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021
N-(1-hydroxypropan-2-yl)-2-(propan-2-ylamino)acetamide
CID 60841467
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
CID 119213913
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696946
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid (CID 62696018) is 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid is CC(C)NCC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid?
The InChIKey is YFHXMLFYBMIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)11-5-8(13)12-9(10(14)15)7-3-4-7/h6-7,9,11H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 62696018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).