ethane;3-(methoxycarbonylamino)propanoic acid

C7H15NO4 — CID 145468285

IUPACethane;3-(methoxycarbonylamino)propanoic acid
SMILESCC.COC(=O)NCCC(=O)O
InChIInChI=1S/C5H9NO4.C2H6/c1-10-5(9)6-3-2-4(7)8;1-2/h2-3H2,1H3,(H,6,9)(H,7,8);1-2H3
InChIKeyKEZJMYLELQIMIL-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.84
Rot. Bonds3

About ethane;3-(methoxycarbonylamino)propanoic acid

ethane;3-(methoxycarbonylamino)propanoic acid (PubChem CID 145468285) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethane;3-(methoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Nameethane;3-(methoxycarbonylamino)propanoic acid
PubChem CID145468285
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Nameethane;3-(methoxycarbonylamino)propanoic acid
SMILESCC.COC(=O)NCCC(=O)O
InChIInChI=1S/C5H9NO4.C2H6/c1-10-5(9)6-3-2-4(7)8;1-2/h2-3H2,1H3,(H,6,9)(H,7,8);1-2H3
InChIKeyKEZJMYLELQIMIL-UHFFFAOYSA-N
XLogP0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid
CID 143459457
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
methyl 6-(methoxycarbonylamino)-4-oxohexanoate
CID 58422080
methyl N-(2-fluoroethyl)carbamate
CID 14512865
2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid
CID 171702836
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583

Frequently Asked Questions

What is the IUPAC name of ethane;3-(methoxycarbonylamino)propanoic acid?
The IUPAC name of ethane;3-(methoxycarbonylamino)propanoic acid (CID 145468285) is ethane;3-(methoxycarbonylamino)propanoic acid.
What is the SMILES notation for ethane;3-(methoxycarbonylamino)propanoic acid?
The canonical SMILES for ethane;3-(methoxycarbonylamino)propanoic acid is CC.COC(=O)NCCC(=O)O.
What is the InChIKey of ethane;3-(methoxycarbonylamino)propanoic acid?
The InChIKey is KEZJMYLELQIMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C2H6/c1-10-5(9)6-3-2-4(7)8;1-2/h2-3H2,1H3,(H,6,9)(H,7,8);1-2H3.
What are the key properties of ethane;3-(methoxycarbonylamino)propanoic acid?
ethane;3-(methoxycarbonylamino)propanoic acid has a molecular weight of 177.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methoxycarbonylamino)propanoic acid is sourced from PubChem (CID 145468285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).