3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid

C10H18N2O3 — CID 62675197

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CNCC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)4-12-9(13)6-11-5-8-2-3-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyIAJHAVRJLZRURA-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.18
Rot. Bonds7

About 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid

3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62675197) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
PubChem CID62675197
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CNCC1CC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)4-12-9(13)6-11-5-8-2-3-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyIAJHAVRJLZRURA-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
CID 106133696
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
N-(cyclopropylmethyl)-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65035969
4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103156988
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524
N-(cyclopropylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43567877
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
CID 81078544
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670304
3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
CID 115731415
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid (CID 62675197) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid is CC(CNC(=O)CNCC1CC1)C(=O)O.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is IAJHAVRJLZRURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(10(14)15)4-12-9(13)6-11-5-8-2-3-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).