(2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid

C9H19NO3 — CID 166753884

IUPAC(2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid
SMILESCC(N[C@@H](C)C(=O)O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-6(8(11)12)10-7(2)13-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyMRQHXVILKNFCCS-PKPIPKONSA-N
MW189.25 g/mol
LogP1.21
Rot. Bonds4

About (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid

(2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid (PubChem CID 166753884) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid
PubChem CID166753884
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid
SMILESCC(N[C@@H](C)C(=O)O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-6(8(11)12)10-7(2)13-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyMRQHXVILKNFCCS-PKPIPKONSA-N
XLogP1.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965
2-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 21195363
trisodium;2-(1-carboxyethylamino)propanedioic acid;hydride
CID 174988964
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propanoic acid
CID 131853085
2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid
CID 150515745
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid?
The IUPAC name of (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid (CID 166753884) is (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid?
The canonical SMILES for (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid is CC(N[C@@H](C)C(=O)O)OC(C)(C)C.
What is the InChIKey of (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid?
The InChIKey is MRQHXVILKNFCCS-PKPIPKONSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(8(11)12)10-7(2)13-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid?
(2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(2-methylpropan-2-yl)oxy]ethylamino]propanoic acid is sourced from PubChem (CID 166753884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).