methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate

C9H17NO5 — CID 43407128

IUPACmethyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)OCC(C)C
InChIInChI=1S/C9H17NO5/c1-6(2)5-15-9(13)10-7(4-11)8(12)14-3/h6-7,11H,4-5H2,1-3H3,(H,10,13)
InChIKeyVXZDSVVRQCWAKY-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.10
Rot. Bonds5

About methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate

methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate (PubChem CID 43407128) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
PubChem CID43407128
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namemethyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)OCC(C)C
InChIInChI=1S/C9H17NO5/c1-6(2)5-15-9(13)10-7(4-11)8(12)14-3/h6-7,11H,4-5H2,1-3H3,(H,10,13)
InChIKeyVXZDSVVRQCWAKY-UHFFFAOYSA-N
XLogP-0.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
CID 81076672
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
CID 61143698
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate (CID 43407128) is methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate is COC(=O)C(CO)NC(=O)OCC(C)C.
What is the InChIKey of methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate?
The InChIKey is VXZDSVVRQCWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-6(2)5-15-9(13)10-7(4-11)8(12)14-3/h6-7,11H,4-5H2,1-3H3,(H,10,13).
What are the key properties of methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate?
methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate has a molecular weight of 219.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate is sourced from PubChem (CID 43407128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).