(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

C12H21N3O6 — CID 89354522

IUPAC(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
SMILESCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-3-8(11(19)14-6-10(17)18)15-9(16)5-4-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1
InChIKeyYNKMIZQRPMWJAL-YUMQZZPRSA-N
MW303.32 g/mol
LogP-1.34
Rot. Bonds10

About (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 89354522) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
PubChem CID89354522
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
SMILESCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C12H21N3O6/c1-2-3-8(11(19)14-6-10(17)18)15-9(16)5-4-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1
InChIKeyYNKMIZQRPMWJAL-YUMQZZPRSA-N
XLogP-1.34
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (CID 89354522) is (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is CCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is YNKMIZQRPMWJAL-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-2-3-8(11(19)14-6-10(17)18)15-9(16)5-4-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 303.32 g/mol, XLogP of -1.34, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 89354522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).