carbamoylcarbamic acid;carbamoylurea

C4H9N5O5 — CID 15920414

IUPACcarbamoylcarbamic acid;carbamoylurea
SMILESNC(=O)NC(=O)O.NC(=O)NC(N)=O
InChIInChI=1S/C2H5N3O2.C2H4N2O3/c3-1(6)5-2(4)7;3-1(5)4-2(6)7/h(H5,3,4,5,6,7);(H,6,7)(H3,3,4,5)
InChIKeyQQQHSUJGJMZNBL-UHFFFAOYSA-N
MW207.15 g/mol
LogP-1.93
Rot. Bonds

About carbamoylcarbamic acid;carbamoylurea

carbamoylcarbamic acid;carbamoylurea (PubChem CID 15920414) has the molecular formula C4H9N5O5 and a molecular weight of 207.15 g/mol. Its IUPAC name is carbamoylcarbamic acid;carbamoylurea.

Molecular Properties

Compound Namecarbamoylcarbamic acid;carbamoylurea
PubChem CID15920414
Molecular FormulaC4H9N5O5
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Namecarbamoylcarbamic acid;carbamoylurea
SMILESNC(=O)NC(=O)O.NC(=O)NC(N)=O
InChIInChI=1S/C2H5N3O2.C2H4N2O3/c3-1(6)5-2(4)7;3-1(5)4-2(6)7/h(H5,3,4,5,6,7);(H,6,7)(H3,3,4,5)
InChIKeyQQQHSUJGJMZNBL-UHFFFAOYSA-N
XLogP-1.93
TPSA190.63 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500207.15
LogP ≤ 5-1.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

CID 118590953
CID 118590953
carbamoylcarbamic acid;formonitrile
CID 174795487
carbamoylcarbamic acid;1,3,5-triazinane-2,4,6-trione
CID 67878158
carbamoylurea;fluoroform
CID 174631914
carbamoylurea;copper;thiourea
CID 175029091
1-aminoethenylcarbamic acid
CID 87700799
CID 174966153
CID 174966153
carbamoylcarbamic acid;2-hydroxyethyl prop-2-enoate
CID 87408643
3-(carbamoylamino)-3-oxopropanoic acid
CID 10290858
carbamoylcarbamic acid;2-methylpent-2-eneperoxoic acid
CID 174561405
carbamoylurea;isocyanic acid;oxalonitrile
CID 174975080
carbamoylurea;propane-1,1-diol
CID 174530984

Frequently Asked Questions

What is the IUPAC name of carbamoylcarbamic acid;carbamoylurea?
The IUPAC name of carbamoylcarbamic acid;carbamoylurea (CID 15920414) is carbamoylcarbamic acid;carbamoylurea.
What is the SMILES notation for carbamoylcarbamic acid;carbamoylurea?
The canonical SMILES for carbamoylcarbamic acid;carbamoylurea is NC(=O)NC(=O)O.NC(=O)NC(N)=O.
What is the InChIKey of carbamoylcarbamic acid;carbamoylurea?
The InChIKey is QQQHSUJGJMZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O2.C2H4N2O3/c3-1(6)5-2(4)7;3-1(5)4-2(6)7/h(H5,3,4,5,6,7);(H,6,7)(H3,3,4,5).
What are the key properties of carbamoylcarbamic acid;carbamoylurea?
carbamoylcarbamic acid;carbamoylurea has a molecular weight of 207.15 g/mol, XLogP of -1.93, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylcarbamic acid;carbamoylurea is sourced from PubChem (CID 15920414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).