2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid

C10H17N3O6 — CID 173061748

IUPAC2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)O)C(=O)CCNC(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-13(10(18)19)8(15)4-5-12-7(14)3-2-6(11)9(16)17/h6H,2-5,11H2,1H3,(H,12,14)(H,16,17)(H,18,19)
InChIKeyFTDRAOLYQPLWNT-UHFFFAOYSA-N
MW275.26 g/mol
LogP-1.18
Rot. Bonds7

About 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid

2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid (PubChem CID 173061748) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid
PubChem CID173061748
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)O)C(=O)CCNC(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-13(10(18)19)8(15)4-5-12-7(14)3-2-6(11)9(16)17/h6H,2-5,11H2,1H3,(H,12,14)(H,16,17)(H,18,19)
InChIKeyFTDRAOLYQPLWNT-UHFFFAOYSA-N
XLogP-1.18
TPSA150.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

magnesium bis(3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propanoate)
CID 139643109
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid
CID 87358436
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
2-amino-5-[2-[3-[2-[(4-amino-4-carboxybutanoyl)amino]ethoxy]-2,2-dimethyl-3-oxopropanoyl]oxyethylamino]-5-oxopentanoic acid
CID 58463544
(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[carboxy(methyl)amino]-3-oxopropyl]disulfanyl]-1-[carboxy(methyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;hydrate
CID 87657757
2-amino-5-[[8-[(8-amino-8-oxooctyl)amino]-8-oxooctyl]amino]-5-oxopentanoic acid;sulfane
CID 158644391
tris(2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethyl-trimethylazanium);phosphate
CID 22804811
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-5-oxopentanoic acid
CID 170607216
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79204974

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid (CID 173061748) is 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid is CN(C(=O)O)C(=O)CCNC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid?
The InChIKey is FTDRAOLYQPLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-13(10(18)19)8(15)4-5-12-7(14)3-2-6(11)9(16)17/h6H,2-5,11H2,1H3,(H,12,14)(H,16,17)(H,18,19).
What are the key properties of 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid?
2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid has a molecular weight of 275.26 g/mol, XLogP of -1.18, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 173061748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).