(2R)-2-[carbamoyl(formyl)amino]pentanedioic acid

C7H10N2O6 — CID 155208828

IUPAC(2R)-2-[carbamoyl(formyl)amino]pentanedioic acid
SMILESNC(=O)N(C=O)[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H10N2O6/c8-7(15)9(3-10)4(6(13)14)1-2-5(11)12/h3-4H,1-2H2,(H2,8,15)(H,11,12)(H,13,14)/t4-/m1/s1
InChIKeyYEMDGFNLXWEFIE-SCSAIBSYSA-N
MW218.16 g/mol
LogP-1.16
Rot. Bonds6

About (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid

(2R)-2-[carbamoyl(formyl)amino]pentanedioic acid (PubChem CID 155208828) has the molecular formula C7H10N2O6 and a molecular weight of 218.16 g/mol. Its IUPAC name is (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[carbamoyl(formyl)amino]pentanedioic acid
PubChem CID155208828
Molecular FormulaC7H10N2O6
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name(2R)-2-[carbamoyl(formyl)amino]pentanedioic acid
SMILESNC(=O)N(C=O)[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H10N2O6/c8-7(15)9(3-10)4(6(13)14)1-2-5(11)12/h3-4H,1-2H2,(H2,8,15)(H,11,12)(H,13,14)/t4-/m1/s1
InChIKeyYEMDGFNLXWEFIE-SCSAIBSYSA-N
XLogP-1.16
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[di(prop-2-enoyl)amino]pentanedioic acid
CID 57114411
copper 2-[bis(carboxymethyl)amino]pentanedioic acid
CID 91664372
2-aminopentanedioic acid;N,N-dimethylformamide
CID 174735498
2-[bis(1-carboxyethyl)amino]pentanedioic acid
CID 22280241
(2R)-2-aminopentanedioic acid;formamide
CID 87175197
2-hydroxypentanedioic acid;urea
CID 175478828
5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]-iodoamino]pentanedioic acid
CID 175868067
2-amino-5-[(1-carboxy-2-methylsulfanylethyl)-formylamino]-5-oxopentanoic acid
CID 142140893
2-[hydroxy(phosphonomethyl)amino]pentanedioic acid
CID 87463060
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid?
The IUPAC name of (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid (CID 155208828) is (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid is NC(=O)N(C=O)[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid?
The InChIKey is YEMDGFNLXWEFIE-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N2O6/c8-7(15)9(3-10)4(6(13)14)1-2-5(11)12/h3-4H,1-2H2,(H2,8,15)(H,11,12)(H,13,14)/t4-/m1/s1.
What are the key properties of (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid?
(2R)-2-[carbamoyl(formyl)amino]pentanedioic acid has a molecular weight of 218.16 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[carbamoyl(formyl)amino]pentanedioic acid is sourced from PubChem (CID 155208828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).