2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid

C9H15N5O4 — CID 67796016

IUPAC2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC[C@@H](N=C(N)N)C1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H15N5O4/c1-2-4(12-8(10)11)6-7(17)14(3-5(15)16)9(18)13-6/h4,6H,2-3H2,1H3,(H,13,18)(H,15,16)(H4,10,11,12)/t4-,6?/m1/s1
InChIKeyFCHCFBUGQCSBES-NJXYFUOMSA-N
MW257.25 g/mol
LogP-1.96
Rot. Bonds5

About 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 67796016) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID67796016
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Name2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC[C@@H](N=C(N)N)C1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H15N5O4/c1-2-4(12-8(10)11)6-7(17)14(3-5(15)16)9(18)13-6/h4,6H,2-3H2,1H3,(H,13,18)(H,15,16)(H4,10,11,12)/t4-,6?/m1/s1
InChIKeyFCHCFBUGQCSBES-NJXYFUOMSA-N
XLogP-1.96
TPSA151.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 59953083
2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357442
2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 18097287
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172
2-[1-[(2R,3S)-1-acetyl-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]propyl]guanidine
CID 70091475
2-[(4R)-4-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 125482464
(3S)-3-[[2-[(4S)-4-[3-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-(4-methylpentan-2-ylamino)-4-oxobutanoic acid
CID 59873395
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 67796016) is 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid is CC[C@@H](N=C(N)N)C1NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is FCHCFBUGQCSBES-NJXYFUOMSA-N. The full InChI is InChI=1S/C9H15N5O4/c1-2-4(12-8(10)11)6-7(17)14(3-5(15)16)9(18)13-6/h4,6H,2-3H2,1H3,(H,13,18)(H,15,16)(H4,10,11,12)/t4-,6?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 257.25 g/mol, XLogP of -1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 67796016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).