(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid

C10H17NO4 — CID 119943235

IUPAC(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCOCC1CC1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(10(13)14)11-9(12)4-5-15-6-8-2-3-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyLYAQYWFQBCMQEO-ZETCQYMHSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds7

About (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid

(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid (PubChem CID 119943235) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid
PubChem CID119943235
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCOCC1CC1)C(=O)O
InChIInChI=1S/C10H17NO4/c1-7(10(13)14)11-9(12)4-5-15-6-8-2-3-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyLYAQYWFQBCMQEO-ZETCQYMHSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-decoxypropanoylamino)propanoic acid
CID 57083473
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid
CID 156877122
3-(cyclopropylmethoxy)propanehydrazide
CID 63574361
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119943226
2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119348600
3-(piperidin-3-ylmethoxy)-N-propan-2-ylpropanamide
CID 62626615
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
4-(cyclopropylmethoxy)-2-(methylamino)butanoic acid
CID 63040806
(2S,3S)-2-[[2-(cyclopropylmethoxy)acetyl]amino]-3-methylpentanoic acid
CID 119194038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid (CID 119943235) is (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid is C[C@H](NC(=O)CCOCC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid?
The InChIKey is LYAQYWFQBCMQEO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(10(13)14)11-9(12)4-5-15-6-8-2-3-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid?
(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid is sourced from PubChem (CID 119943235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).