(2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C13H22N4O6 — CID 11949311

IUPAC(2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H22N4O6/c14-7(3-4-10(15)19)11(20)16-8(6-18)12(21)17-5-1-2-9(17)13(22)23/h7-9,18H,1-6,14H2,(H2,15,19)(H,16,20)(H,22,23)/t7-,8-,9-/m0/s1
InChIKeySYZZMPFLOLSMHL-CIUDSAMLSA-N
MW330.34 g/mol
LogP-2.87
Rot. Bonds8

About (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 11949311) has the molecular formula C13H22N4O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID11949311
Molecular FormulaC13H22N4O6
Molecular Weight330.34 g/mol
Exact Mass330.15
IUPAC Name(2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H22N4O6/c14-7(3-4-10(15)19)11(20)16-8(6-18)12(21)17-5-1-2-9(17)13(22)23/h7-9,18H,1-6,14H2,(H2,15,19)(H,16,20)(H,22,23)/t7-,8-,9-/m0/s1
InChIKeySYZZMPFLOLSMHL-CIUDSAMLSA-N
XLogP-2.87
TPSA176.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-2.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

Prolylhydroxyproline
CID 11902893
Goralatide
CID 65938
Seryl-proline
CID 4369021
QSPac
CID 44560286
Glu-Pro
CID 11218768
Pro-Hyp zwitterion
CID 11902892
5-oxo-L-prolyl-L-glutamine
CID 11010621
Ser-Gln
CID 7016082
Thr-Pro
CID 9834371
Prolyl-serine
CID 7408258
Glu-Thr
CID 6998031
Gln-Pro
CID 11736661

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid (CID 11949311) is (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid is NC(=O)CC[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SYZZMPFLOLSMHL-CIUDSAMLSA-N. The full InChI is InChI=1S/C13H22N4O6/c14-7(3-4-10(15)19)11(20)16-8(6-18)12(21)17-5-1-2-9(17)13(22)23/h7-9,18H,1-6,14H2,(H2,15,19)(H,16,20)(H,22,23)/t7-,8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of -2.87, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11949311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).