ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate

C8H16N2O4 — CID 12993310

IUPACethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@@H](CO)NC(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O4/c1-3-14-8(13)6(4-11)10-7(12)5(2)9/h5-6,11H,3-4,9H2,1-2H3,(H,10,12)/t5-,6+/m0/s1
InChIKeyMXDSOGUUHROSMO-NTSWFWBYSA-N
MW204.23 g/mol
LogP-1.63
Rot. Bonds5

About ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate

ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate (PubChem CID 12993310) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate
PubChem CID12993310
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nameethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@@H](CO)NC(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O4/c1-3-14-8(13)6(4-11)10-7(12)5(2)9/h5-6,11H,3-4,9H2,1-2H3,(H,10,12)/t5-,6+/m0/s1
InChIKeyMXDSOGUUHROSMO-NTSWFWBYSA-N
XLogP-1.63
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Acetylserine
CID 65249
Val-Ser
CID 6992640
L-Serylglycine
CID 7009644
Ala-Ser
CID 1549433
Glycylserine
CID 102466
Alanylthreonine
CID 6427004
Ala-Ala-Ala
CID 5478845
N-Acetyl-DL-serine
CID 352294
N-(2-Amino-1-hydroxyethylidene)threonine
CID 351980
Ser-Val
CID 7020159
Serine, glycyl-
CID 73086
Seryl-alanine
CID 7009579

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate?
The IUPAC name of ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate (CID 12993310) is ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate?
The canonical SMILES for ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate is CCOC(=O)[C@@H](CO)NC(=O)[C@H](C)N.
What is the InChIKey of ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate?
The InChIKey is MXDSOGUUHROSMO-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-14-8(13)6(4-11)10-7(12)5(2)9/h5-6,11H,3-4,9H2,1-2H3,(H,10,12)/t5-,6+/m0/s1.
What are the key properties of ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate?
ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate has a molecular weight of 204.23 g/mol, XLogP of -1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 12993310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).