3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid

C9H17NO5 — CID 81076672

IUPAC3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
SMILESCOCC(NC(=O)OCC(C)C)C(=O)O
InChIInChI=1S/C9H17NO5/c1-6(2)4-15-9(13)10-7(5-14-3)8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyYKTMZLXTYNPNHY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.47
Rot. Bonds6

About 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid

3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid (PubChem CID 81076672) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
PubChem CID81076672
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
SMILESCOCC(NC(=O)OCC(C)C)C(=O)O
InChIInChI=1S/C9H17NO5/c1-6(2)4-15-9(13)10-7(5-14-3)8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyYKTMZLXTYNPNHY-UHFFFAOYSA-N
XLogP0.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
CID 61143698
methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
CID 43407128
(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
CID 58474049
2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181066
2-methylpropyl N-[4-amino-1-(3-methoxypropylamino)-1,4-dioxobutan-2-yl]carbamate
CID 4223405
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
(2R)-2-(carbonochloridoylamino)-3-methoxypropanoic acid
CID 131230342
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81085433
2-methylpropyl N-[1-(cyanomethylamino)-3-methylsulfinyl-1-oxopropan-2-yl]carbamate
CID 87927807
3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 81083929
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid (CID 81076672) is 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid is COCC(NC(=O)OCC(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid?
The InChIKey is YKTMZLXTYNPNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-6(2)4-15-9(13)10-7(5-14-3)8(11)12/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid?
3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid is sourced from PubChem (CID 81076672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).