ethyl 3-(2-hydroxypropylamino)propanoate

C8H17NO3 — CID 43389838

IUPACethyl 3-(2-hydroxypropylamino)propanoate
SMILESCCOC(=O)CCNCC(C)O
InChIInChI=1S/C8H17NO3/c1-3-12-8(11)4-5-9-6-7(2)10/h7,9-10H,3-6H2,1-2H3
InChIKeyNCWJITRUBZFUTR-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds6

About ethyl 3-(2-hydroxypropylamino)propanoate

ethyl 3-(2-hydroxypropylamino)propanoate (PubChem CID 43389838) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 3-(2-hydroxypropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxypropylamino)propanoate
PubChem CID43389838
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 3-(2-hydroxypropylamino)propanoate
SMILESCCOC(=O)CCNCC(C)O
InChIInChI=1S/C8H17NO3/c1-3-12-8(11)4-5-9-6-7(2)10/h7,9-10H,3-6H2,1-2H3
InChIKeyNCWJITRUBZFUTR-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(3-ethoxy-3-oxopropyl)amino]propanoic acid
CID 103245375
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanoate
CID 62625377
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
ethyl 3-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442125
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
ethyl 3-(octylamino)propanoate
CID 46318537
butyl 3-(2,2-dihydroxyethylamino)propanoate
CID 175171291
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl (4R)-4-fluoro-5-(propylamino)pentanoate
CID 134297721
ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62668583

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxypropylamino)propanoate?
The IUPAC name of ethyl 3-(2-hydroxypropylamino)propanoate (CID 43389838) is ethyl 3-(2-hydroxypropylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-hydroxypropylamino)propanoate?
The canonical SMILES for ethyl 3-(2-hydroxypropylamino)propanoate is CCOC(=O)CCNCC(C)O.
What is the InChIKey of ethyl 3-(2-hydroxypropylamino)propanoate?
The InChIKey is NCWJITRUBZFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-12-8(11)4-5-9-6-7(2)10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of ethyl 3-(2-hydroxypropylamino)propanoate?
ethyl 3-(2-hydroxypropylamino)propanoate has a molecular weight of 175.23 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxypropylamino)propanoate is sourced from PubChem (CID 43389838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).