CID 172703702

C7H15NNaO3 — CID 172703702

IUPAC—
SMILESCCOC(=O)C(C)NCCO.[Na]
InChIInChI=1S/C7H15NO3.Na/c1-3-11-7(10)6(2)8-4-5-9;/h6,8-9H,3-5H2,1-2H3;
InChIKeyDHMDUQJEFNLDSY-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.86
Rot. Bonds5

About CID 172703702

CID 172703702 (PubChem CID 172703702) has the molecular formula C7H15NNaO3 and a molecular weight of 184.19 g/mol.

Molecular Properties

Compound NameCID 172703702
PubChem CID172703702
Molecular FormulaC7H15NNaO3
Molecular Weight184.19 g/mol
Exact Mass184.09
IUPAC Name—
SMILESCCOC(=O)C(C)NCCO.[Na]
InChIInChI=1S/C7H15NO3.Na/c1-3-11-7(10)6(2)8-4-5-9;/h6,8-9H,3-5H2,1-2H3;
InChIKeyDHMDUQJEFNLDSY-UHFFFAOYSA-N
XLogP-0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl 2-(2-hydroxyethylamino)propanoate
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ethyl 2-(heptylamino)propanoate
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ethyl 2-(hexylamino)propanoate
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ethyl (2S)-2-(2-ethoxyethylamino)propanoate
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ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
ethyl 2-[(3-methyl-2-propan-2-ylbutyl)amino]propanoate
CID 102905223
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of CID 172703702?
The IUPAC name of CID 172703702 (CID 172703702) is not available.
What is the SMILES notation for CID 172703702?
The canonical SMILES for CID 172703702 is CCOC(=O)C(C)NCCO.[Na].
What is the InChIKey of CID 172703702?
The InChIKey is DHMDUQJEFNLDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.Na/c1-3-11-7(10)6(2)8-4-5-9;/h6,8-9H,3-5H2,1-2H3;.
What are the key properties of CID 172703702?
CID 172703702 has a molecular weight of 184.19 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172703702 is sourced from PubChem (CID 172703702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).