(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid

C11H21N3O5 — CID 87521207

IUPAC(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
SMILESCC(C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C11H21N3O5/c1-5(2)8(13-7(16)4-12)10(17)14-9(6(3)15)11(18)19/h5-6,8-9,15H,4,12H2,1-3H3,(H,13,16)(H,14,17)(H,18,19)/t6-,8+,9+/m1/s1
InChIKeyAFMOTCMSEBITOE-YEPSODPASA-N
MW275.31 g/mol
LogP-1.96
Rot. Bonds7

About (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid

(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid (PubChem CID 87521207) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
PubChem CID87521207
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
SMILESCC(C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C11H21N3O5/c1-5(2)8(13-7(16)4-12)10(17)14-9(6(3)15)11(18)19/h5-6,8-9,15H,4,12H2,1-3H3,(H,13,16)(H,14,17)(H,18,19)/t6-,8+,9+/m1/s1
InChIKeyAFMOTCMSEBITOE-YEPSODPASA-N
XLogP-1.96
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

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Related Compounds

Val-Ser
CID 6992640
Ser-Leu
CID 7015695
Alanylthreonine
CID 6427004
L-Valyl-L-valine
CID 107475
N-acetyl-L-threonine
CID 152204
Ile-Thr
CID 18218220
Leucylthreonine
CID 18218222
Thr-Leu
CID 7021828
Ser-Val
CID 7020159
2-[(2-Amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 3621685
Thr-Asp
CID 7016067
Thr-Val
CID 7020902

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid (CID 87521207) is (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid is CC(C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid?
The InChIKey is AFMOTCMSEBITOE-YEPSODPASA-N. The full InChI is InChI=1S/C11H21N3O5/c1-5(2)8(13-7(16)4-12)10(17)14-9(6(3)15)11(18)19/h5-6,8-9,15H,4,12H2,1-3H3,(H,13,16)(H,14,17)(H,18,19)/t6-,8+,9+/m1/s1.
What are the key properties of (2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -1.96, 7 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-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 87521207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).