(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid

C10H19N3O5 — CID 44608124

IUPAC(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C10H19N3O5/c1-4(11)8(15)12-5(2)9(16)13-7(6(3)14)10(17)18/h4-7,14H,11H2,1-3H3,(H,12,15)(H,13,16)(H,17,18)/t4-,5-,6+,7-/m0/s1
InChIKeyJBVSSSZFNTXJDX-YTLHQDLWSA-N
MW261.28 g/mol
LogP-2.21
Rot. Bonds6

About (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid

(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid (PubChem CID 44608124) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid
PubChem CID44608124
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C10H19N3O5/c1-4(11)8(15)12-5(2)9(16)13-7(6(3)14)10(17)18/h4-7,14H,11H2,1-3H3,(H,12,15)(H,13,16)(H,17,18)/t4-,5-,6+,7-/m0/s1
InChIKeyJBVSSSZFNTXJDX-YTLHQDLWSA-N
XLogP-2.21
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid with MolForge

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Related Compounds

Val-Ser
CID 6992640
L-Serylglycine
CID 7009644
Ala-Ser
CID 1549433
N-acetyl-L-threonine
CID 152204
Glycylserine
CID 102466
Alanylthreonine
CID 6427004
(2S,3S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-hydroxybutanoate
CID 7006473
Ile-Thr
CID 18218220
Leucylthreonine
CID 18218222
N-(2-Amino-1-hydroxyethylidene)threonine
CID 351980
Thr-Leu
CID 7021828
Ser-Val
CID 7020159

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid (CID 44608124) is (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid is C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid?
The InChIKey is JBVSSSZFNTXJDX-YTLHQDLWSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-4(11)8(15)12-5(2)9(16)13-7(6(3)14)10(17)18/h4-7,14H,11H2,1-3H3,(H,12,15)(H,13,16)(H,17,18)/t4-,5-,6+,7-/m0/s1.
What are the key properties of (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -2.21, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 44608124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).