(2S)-2-(ethylamino)-3-methoxypropanoic acid

C6H13NO3 — CID 149367077

IUPAC(2S)-2-(ethylamino)-3-methoxypropanoic acid
SMILESCCN[C@@H](COC)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-7-5(4-10-2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyYJBJVIFQIGJUHA-YFKPBYRVSA-N
MW147.17 g/mol
LogP-0.30
Rot. Bonds5

About (2S)-2-(ethylamino)-3-methoxypropanoic acid

(2S)-2-(ethylamino)-3-methoxypropanoic acid (PubChem CID 149367077) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-3-methoxypropanoic acid
PubChem CID149367077
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S)-2-(ethylamino)-3-methoxypropanoic acid
SMILESCCN[C@@H](COC)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-7-5(4-10-2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyYJBJVIFQIGJUHA-YFKPBYRVSA-N
XLogP-0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
3-(2,2-difluoroethoxy)-2-(ethylamino)propanoic acid
CID 82005662
2-[(4-ethylcyclohexyl)methylamino]-3-methoxypropanoic acid
CID 103240705
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
CID 103240234
2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid
CID 103262412
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-3-methoxypropanoic acid?
The IUPAC name of (2S)-2-(ethylamino)-3-methoxypropanoic acid (CID 149367077) is (2S)-2-(ethylamino)-3-methoxypropanoic acid.
What is the SMILES notation for (2S)-2-(ethylamino)-3-methoxypropanoic acid?
The canonical SMILES for (2S)-2-(ethylamino)-3-methoxypropanoic acid is CCN[C@@H](COC)C(=O)O.
What is the InChIKey of (2S)-2-(ethylamino)-3-methoxypropanoic acid?
The InChIKey is YJBJVIFQIGJUHA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-7-5(4-10-2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-3-methoxypropanoic acid?
(2S)-2-(ethylamino)-3-methoxypropanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 149367077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).