methyl (2S)-2-(1-cyclopropylpropylamino)propanoate

C10H19NO2 — CID 64920130

IUPACmethyl (2S)-2-(1-cyclopropylpropylamino)propanoate
SMILESCCC(N[C@@H](C)C(=O)OC)C1CC1
InChIInChI=1S/C10H19NO2/c1-4-9(8-5-6-8)11-7(2)10(12)13-3/h7-9,11H,4-6H2,1-3H3/t7-,9?/m0/s1
InChIKeyWPGLTBIJDDFDMH-JAVCKPHESA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds5

About methyl (2S)-2-(1-cyclopropylpropylamino)propanoate

methyl (2S)-2-(1-cyclopropylpropylamino)propanoate (PubChem CID 64920130) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (2S)-2-(1-cyclopropylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(1-cyclopropylpropylamino)propanoate
PubChem CID64920130
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (2S)-2-(1-cyclopropylpropylamino)propanoate
SMILESCCC(N[C@@H](C)C(=O)OC)C1CC1
InChIInChI=1S/C10H19NO2/c1-4-9(8-5-6-8)11-7(2)10(12)13-3/h7-9,11H,4-6H2,1-3H3/t7-,9?/m0/s1
InChIKeyWPGLTBIJDDFDMH-JAVCKPHESA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropylpropylamino)-3-methoxypropanamide
CID 115929773
2-(1-cyclopropylpropylamino)-N-propylpropanamide
CID 64917765
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
2-(1-cyclopropylpropylamino)oxyacetamide
CID 112672608
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
1-amino-3-(1-cyclopropylpropyl)urea
CID 130727962
methyl 4-(1-cyclopropylpropylamino)butanoate
CID 64919715
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
CID 115724442
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
N-(1-cyclopropylpropyl)-2-methylpentan-3-amine
CID 64917590

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(1-cyclopropylpropylamino)propanoate?
The IUPAC name of methyl (2S)-2-(1-cyclopropylpropylamino)propanoate (CID 64920130) is methyl (2S)-2-(1-cyclopropylpropylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(1-cyclopropylpropylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(1-cyclopropylpropylamino)propanoate is CCC(N[C@@H](C)C(=O)OC)C1CC1.
What is the InChIKey of methyl (2S)-2-(1-cyclopropylpropylamino)propanoate?
The InChIKey is WPGLTBIJDDFDMH-JAVCKPHESA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(8-5-6-8)11-7(2)10(12)13-3/h7-9,11H,4-6H2,1-3H3/t7-,9?/m0/s1.
What are the key properties of methyl (2S)-2-(1-cyclopropylpropylamino)propanoate?
methyl (2S)-2-(1-cyclopropylpropylamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(1-cyclopropylpropylamino)propanoate is sourced from PubChem (CID 64920130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).