(2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid

C10H17N3O8 — CID 129078578

IUPAC(2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
SMILESN[C@@H](CN[C@@H](CN[C@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t4-,5+,6-/m0/s1
InChIKeyXFTWUNOVBCHBJR-JKUQZMGJSA-N
MW307.26 g/mol
LogP-3.04
Rot. Bonds11

About (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid

(2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid (PubChem CID 129078578) has the molecular formula C10H17N3O8 and a molecular weight of 307.26 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
PubChem CID129078578
Molecular FormulaC10H17N3O8
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC Name(2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid
SMILESN[C@@H](CN[C@@H](CN[C@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t4-,5+,6-/m0/s1
InChIKeyXFTWUNOVBCHBJR-JKUQZMGJSA-N
XLogP-3.04
TPSA199.28 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.26
LogP ≤ 5-3.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid with MolForge

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Related Compounds

CID 22880
CID 22880
CID 4376
CID 4376
CID 497266
CID 497266
CID 73555305
CID 73555305
CID 97363
CID 97363
CID 197028
CID 197028
CID 129078576
CID 129078576
CID 471583
CID 471583
CID 10267199
CID 10267199
CID 10028036
CID 10028036
CID 273261
CID 273261
CID 332965
CID 332965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid?
The IUPAC name of (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid (CID 129078578) is (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid is N[C@@H](CN[C@@H](CN[C@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid?
The InChIKey is XFTWUNOVBCHBJR-JKUQZMGJSA-N. The full InChI is InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t4-,5+,6-/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid?
(2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid has a molecular weight of 307.26 g/mol, XLogP of -3.04, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid is sourced from PubChem (CID 129078578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).